USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=17 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 79:sc= 0.595 USER MOD Single : A 20 LYS NZ :NH3+ 163:sc= -0.0181 (180deg=-0.215) USER MOD Single : A 21 THR OG1 : rot 71:sc= 0.832 USER MOD Single : A 25 TYR OH : rot -174:sc= -1.39 USER MOD Single : A 27 CYS SG : rot 47:sc= 0.856 USER MOD Single : A 29 CYS SG : rot 170:sc= 0.00106 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+ -119:sc= -0.254 (180deg=-1.47!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 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 -151:sc= -0.646 (180deg=-2.59!) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.0934 K(o=-0.093,f=-2!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HD1:sc= -2.96! C(o=-3!,f=-8.1!) USER MOD Single : A 70 ASN : amide:sc= -0.0927 X(o=-0.093,f=0) USER MOD Single : A 71 TYR OH : rot -2:sc= -0.0866 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= -2.52! K(o=-2.5!,f=-0.4) USER MOD Single : A 83 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0217) USER MOD Single : A 87 SER OG : rot 180:sc=-0.00107 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 132 N VAL A 13 9.816 27.172 -4.904 1.00 0.00 N ATOM 133 CA VAL A 13 10.238 26.020 -4.115 1.00 0.00 C ATOM 134 C VAL A 13 9.266 25.751 -2.972 1.00 0.00 C ATOM 135 O VAL A 13 9.005 24.599 -2.624 1.00 0.00 O ATOM 136 CB VAL A 13 11.651 26.224 -3.536 1.00 0.00 C ATOM 137 CG1 VAL A 13 11.720 27.519 -2.740 1.00 0.00 C ATOM 138 CG2 VAL A 13 12.050 25.036 -2.673 1.00 0.00 C ATOM 0 HA VAL A 13 10.249 25.162 -4.788 1.00 0.00 H new ATOM 0 HB VAL A 13 12.357 26.296 -4.363 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.725 27.646 -2.339 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.480 28.360 -3.391 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.004 27.480 -1.919 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.051 25.197 -2.272 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.343 24.930 -1.851 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.043 24.129 -3.277 1.00 0.00 H new ATOM 148 N GLU A 14 8.734 26.821 -2.390 1.00 0.00 N ATOM 149 CA GLU A 14 7.790 26.699 -1.285 1.00 0.00 C ATOM 150 C GLU A 14 6.529 25.962 -1.725 1.00 0.00 C ATOM 151 O GLU A 14 6.276 24.834 -1.299 1.00 0.00 O ATOM 152 CB GLU A 14 7.423 28.083 -0.744 1.00 0.00 C ATOM 153 CG GLU A 14 6.560 28.038 0.506 1.00 0.00 C ATOM 154 CD GLU A 14 6.759 29.250 1.395 1.00 0.00 C ATOM 155 OE1 GLU A 14 7.917 29.692 1.545 1.00 0.00 O ATOM 156 OE2 GLU A 14 5.757 29.755 1.943 1.00 0.00 O ATOM 0 H GLU A 14 8.940 27.781 -2.665 1.00 0.00 H new ATOM 0 HA GLU A 14 8.269 26.122 -0.494 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.338 28.632 -0.524 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.896 28.639 -1.519 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.511 27.972 0.217 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.792 27.135 1.071 1.00 0.00 H new ATOM 163 N ILE A 15 5.742 26.605 -2.580 1.00 0.00 N ATOM 164 CA ILE A 15 4.508 26.011 -3.078 1.00 0.00 C ATOM 165 C ILE A 15 4.743 24.586 -3.567 1.00 0.00 C ATOM 166 O ILE A 15 3.879 23.721 -3.424 1.00 0.00 O ATOM 167 CB ILE A 15 3.905 26.843 -4.225 1.00 0.00 C ATOM 168 CG1 ILE A 15 2.389 26.653 -4.281 1.00 0.00 C ATOM 169 CG2 ILE A 15 4.542 26.455 -5.551 1.00 0.00 C ATOM 170 CD1 ILE A 15 1.722 27.429 -5.394 1.00 0.00 C ATOM 0 H ILE A 15 5.937 27.538 -2.943 1.00 0.00 H new ATOM 0 HA ILE A 15 3.806 25.996 -2.244 1.00 0.00 H new ATOM 0 HB ILE A 15 4.113 27.897 -4.038 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.169 25.593 -4.406 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.958 26.958 -3.328 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.106 27.051 -6.352 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.616 26.637 -5.506 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.361 25.398 -5.746 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.648 27.246 -5.372 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.911 28.494 -5.259 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.125 27.107 -6.354 1.00 0.00 H new ATOM 182 N GLU A 16 5.917 24.349 -4.142 1.00 0.00 N ATOM 183 CA GLU A 16 6.265 23.028 -4.651 1.00 0.00 C ATOM 184 C GLU A 16 6.564 22.065 -3.505 1.00 0.00 C ATOM 185 O GLU A 16 6.173 20.898 -3.542 1.00 0.00 O ATOM 186 CB GLU A 16 7.475 23.119 -5.583 1.00 0.00 C ATOM 187 CG GLU A 16 7.257 24.036 -6.776 1.00 0.00 C ATOM 188 CD GLU A 16 6.664 23.311 -7.969 1.00 0.00 C ATOM 189 OE1 GLU A 16 5.749 22.486 -7.767 1.00 0.00 O ATOM 190 OE2 GLU A 16 7.117 23.569 -9.104 1.00 0.00 O ATOM 0 H GLU A 16 6.643 25.054 -4.267 1.00 0.00 H new ATOM 0 HA GLU A 16 5.411 22.646 -5.211 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.335 23.474 -5.015 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.721 22.120 -5.943 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.595 24.852 -6.486 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.208 24.484 -7.064 1.00 0.00 H new ATOM 197 N THR A 17 7.260 22.563 -2.488 1.00 0.00 N ATOM 198 CA THR A 17 7.613 21.748 -1.332 1.00 0.00 C ATOM 199 C THR A 17 6.371 21.339 -0.548 1.00 0.00 C ATOM 200 O THR A 17 6.284 20.218 -0.044 1.00 0.00 O ATOM 201 CB THR A 17 8.578 22.494 -0.392 1.00 0.00 C ATOM 202 OG1 THR A 17 9.899 22.491 -0.943 1.00 0.00 O ATOM 203 CG2 THR A 17 8.596 21.850 0.986 1.00 0.00 C ATOM 0 H THR A 17 7.590 23.527 -2.441 1.00 0.00 H new ATOM 0 HA THR A 17 8.108 20.855 -1.714 1.00 0.00 H new ATOM 0 HB THR A 17 8.230 23.522 -0.291 1.00 0.00 H new ATOM 0 HG1 THR A 17 9.964 23.176 -1.641 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.285 22.394 1.633 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.594 21.881 1.415 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.922 20.814 0.899 1.00 0.00 H new ATOM 211 N LEU A 18 5.413 22.253 -0.448 1.00 0.00 N ATOM 212 CA LEU A 18 4.174 21.987 0.274 1.00 0.00 C ATOM 213 C LEU A 18 3.432 20.802 -0.332 1.00 0.00 C ATOM 214 O LEU A 18 2.966 19.916 0.383 1.00 0.00 O ATOM 215 CB LEU A 18 3.277 23.226 0.261 1.00 0.00 C ATOM 216 CG LEU A 18 3.610 24.308 1.290 1.00 0.00 C ATOM 217 CD1 LEU A 18 2.817 25.574 1.008 1.00 0.00 C ATOM 218 CD2 LEU A 18 3.332 23.806 2.700 1.00 0.00 C ATOM 0 H LEU A 18 5.470 23.185 -0.858 1.00 0.00 H new ATOM 0 HA LEU A 18 4.430 21.741 1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.322 23.672 -0.733 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.247 22.906 0.420 1.00 0.00 H new ATOM 0 HG LEU A 18 4.671 24.543 1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.067 26.333 1.750 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.064 25.944 0.013 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.751 25.354 1.059 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.574 24.588 3.419 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.278 23.543 2.791 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.944 22.927 2.900 1.00 0.00 H new ATOM 230 N ARG A 19 3.329 20.791 -1.658 1.00 0.00 N ATOM 231 CA ARG A 19 2.644 19.713 -2.362 1.00 0.00 C ATOM 232 C ARG A 19 3.284 18.365 -2.045 1.00 0.00 C ATOM 233 O ARG A 19 2.589 17.365 -1.856 1.00 0.00 O ATOM 234 CB ARG A 19 2.676 19.961 -3.872 1.00 0.00 C ATOM 235 CG ARG A 19 1.804 21.124 -4.316 1.00 0.00 C ATOM 236 CD ARG A 19 2.029 21.460 -5.782 1.00 0.00 C ATOM 237 NE ARG A 19 1.391 22.720 -6.159 1.00 0.00 N ATOM 238 CZ ARG A 19 1.230 23.113 -7.417 1.00 0.00 C ATOM 239 NH1 ARG A 19 1.656 22.352 -8.414 1.00 0.00 N ATOM 240 NH2 ARG A 19 0.639 24.273 -7.679 1.00 0.00 N ATOM 0 H ARG A 19 3.711 21.516 -2.265 1.00 0.00 H new ATOM 0 HA ARG A 19 1.608 19.693 -2.025 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.705 20.151 -4.179 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.351 19.057 -4.387 1.00 0.00 H new ATOM 0 HG2 ARG A 19 0.755 20.876 -4.155 1.00 0.00 H new ATOM 0 HG3 ARG A 19 2.022 21.999 -3.703 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.099 21.522 -5.980 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.636 20.655 -6.403 1.00 0.00 H new ATOM 0 HE ARG A 19 1.051 23.330 -5.416 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.110 21.460 -8.217 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.530 22.658 -9.379 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.309 24.862 -6.914 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.515 24.575 -8.645 1.00 0.00 H new ATOM 254 N LYS A 20 4.610 18.343 -1.987 1.00 0.00 N ATOM 255 CA LYS A 20 5.345 17.118 -1.691 1.00 0.00 C ATOM 256 C LYS A 20 5.106 16.675 -0.251 1.00 0.00 C ATOM 257 O LYS A 20 4.854 15.499 0.014 1.00 0.00 O ATOM 258 CB LYS A 20 6.842 17.327 -1.930 1.00 0.00 C ATOM 259 CG LYS A 20 7.279 17.022 -3.353 1.00 0.00 C ATOM 260 CD LYS A 20 7.118 18.232 -4.257 1.00 0.00 C ATOM 261 CE LYS A 20 8.280 19.201 -4.105 1.00 0.00 C ATOM 262 NZ LYS A 20 9.539 18.651 -4.681 1.00 0.00 N ATOM 0 H LYS A 20 5.200 19.161 -2.141 1.00 0.00 H new ATOM 0 HA LYS A 20 4.983 16.336 -2.358 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.099 18.360 -1.693 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.403 16.694 -1.243 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.321 16.702 -3.354 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.691 16.193 -3.745 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.049 17.905 -5.295 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.184 18.742 -4.021 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.035 20.142 -4.598 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.431 19.425 -3.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.222 19.422 -4.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.941 17.948 -4.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.334 18.198 -5.595 1.00 0.00 H new ATOM 276 N THR A 21 5.186 17.624 0.677 1.00 0.00 N ATOM 277 CA THR A 21 4.979 17.332 2.089 1.00 0.00 C ATOM 278 C THR A 21 3.665 16.590 2.309 1.00 0.00 C ATOM 279 O THR A 21 3.629 15.560 2.983 1.00 0.00 O ATOM 280 CB THR A 21 4.976 18.619 2.935 1.00 0.00 C ATOM 281 OG1 THR A 21 6.142 19.398 2.646 1.00 0.00 O ATOM 282 CG2 THR A 21 4.934 18.291 4.420 1.00 0.00 C ATOM 0 H THR A 21 5.393 18.602 0.475 1.00 0.00 H new ATOM 0 HA THR A 21 5.809 16.700 2.406 1.00 0.00 H new ATOM 0 HB THR A 21 4.084 19.192 2.681 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.063 19.785 1.749 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.933 19.216 4.997 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.030 17.724 4.642 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.809 17.698 4.687 1.00 0.00 H new ATOM 290 N VAL A 22 2.589 17.118 1.737 1.00 0.00 N ATOM 291 CA VAL A 22 1.273 16.504 1.869 1.00 0.00 C ATOM 292 C VAL A 22 1.228 15.146 1.177 1.00 0.00 C ATOM 293 O VAL A 22 0.627 14.201 1.685 1.00 0.00 O ATOM 294 CB VAL A 22 0.172 17.405 1.281 1.00 0.00 C ATOM 295 CG1 VAL A 22 -1.202 16.797 1.523 1.00 0.00 C ATOM 296 CG2 VAL A 22 0.256 18.804 1.871 1.00 0.00 C ATOM 0 H VAL A 22 2.602 17.970 1.177 1.00 0.00 H new ATOM 0 HA VAL A 22 1.091 16.371 2.935 1.00 0.00 H new ATOM 0 HB VAL A 22 0.325 17.480 0.204 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.967 17.448 1.100 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.255 15.818 1.047 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.369 16.689 2.595 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.530 19.427 1.444 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.129 18.751 2.952 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.229 19.238 1.640 1.00 0.00 H new ATOM 306 N GLU A 23 1.868 15.059 0.016 1.00 0.00 N ATOM 307 CA GLU A 23 1.900 13.816 -0.746 1.00 0.00 C ATOM 308 C GLU A 23 2.343 12.650 0.133 1.00 0.00 C ATOM 309 O GLU A 23 1.714 11.592 0.144 1.00 0.00 O ATOM 310 CB GLU A 23 2.841 13.951 -1.945 1.00 0.00 C ATOM 311 CG GLU A 23 2.158 14.475 -3.198 1.00 0.00 C ATOM 312 CD GLU A 23 2.914 14.123 -4.464 1.00 0.00 C ATOM 313 OE1 GLU A 23 3.101 12.917 -4.728 1.00 0.00 O ATOM 314 OE2 GLU A 23 3.320 15.054 -5.191 1.00 0.00 O ATOM 0 H GLU A 23 2.371 15.833 -0.418 1.00 0.00 H new ATOM 0 HA GLU A 23 0.891 13.614 -1.106 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.660 14.620 -1.680 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.282 12.978 -2.161 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.149 14.066 -3.256 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.059 15.558 -3.128 1.00 0.00 H new ATOM 321 N ASP A 24 3.432 12.852 0.869 1.00 0.00 N ATOM 322 CA ASP A 24 3.960 11.818 1.751 1.00 0.00 C ATOM 323 C ASP A 24 2.966 11.492 2.862 1.00 0.00 C ATOM 324 O ASP A 24 2.669 10.326 3.119 1.00 0.00 O ATOM 325 CB ASP A 24 5.292 12.267 2.356 1.00 0.00 C ATOM 326 CG ASP A 24 6.216 11.101 2.648 1.00 0.00 C ATOM 327 OD1 ASP A 24 5.716 9.966 2.779 1.00 0.00 O ATOM 328 OD2 ASP A 24 7.442 11.326 2.745 1.00 0.00 O ATOM 0 H ASP A 24 3.965 13.722 0.872 1.00 0.00 H new ATOM 0 HA ASP A 24 4.123 10.917 1.159 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.786 12.956 1.670 1.00 0.00 H new ATOM 0 HB3 ASP A 24 5.102 12.817 3.278 1.00 0.00 H new ATOM 333 N TYR A 25 2.457 12.530 3.517 1.00 0.00 N ATOM 334 CA TYR A 25 1.500 12.355 4.603 1.00 0.00 C ATOM 335 C TYR A 25 0.441 11.321 4.233 1.00 0.00 C ATOM 336 O TYR A 25 0.327 10.275 4.872 1.00 0.00 O ATOM 337 CB TYR A 25 0.831 13.688 4.942 1.00 0.00 C ATOM 338 CG TYR A 25 0.333 13.769 6.367 1.00 0.00 C ATOM 339 CD1 TYR A 25 1.196 14.080 7.409 1.00 0.00 C ATOM 340 CD2 TYR A 25 -1.003 13.535 6.671 1.00 0.00 C ATOM 341 CE1 TYR A 25 0.746 14.156 8.713 1.00 0.00 C ATOM 342 CE2 TYR A 25 -1.463 13.609 7.972 1.00 0.00 C ATOM 343 CZ TYR A 25 -0.585 13.920 8.988 1.00 0.00 C ATOM 344 OH TYR A 25 -1.039 13.994 10.285 1.00 0.00 O ATOM 0 H TYR A 25 2.691 13.502 3.314 1.00 0.00 H new ATOM 0 HA TYR A 25 2.043 11.997 5.478 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.541 14.496 4.767 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.007 13.848 4.263 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.238 14.266 7.196 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.693 13.291 5.877 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.432 14.398 9.512 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.504 13.424 8.191 1.00 0.00 H new ATOM 0 HH TYR A 25 -1.976 13.708 10.321 1.00 0.00 H new ATOM 354 N PHE A 26 -0.331 11.621 3.194 1.00 0.00 N ATOM 355 CA PHE A 26 -1.382 10.719 2.738 1.00 0.00 C ATOM 356 C PHE A 26 -0.881 9.279 2.690 1.00 0.00 C ATOM 357 O PHE A 26 -1.629 8.340 2.967 1.00 0.00 O ATOM 358 CB PHE A 26 -1.882 11.142 1.355 1.00 0.00 C ATOM 359 CG PHE A 26 -2.665 12.424 1.367 1.00 0.00 C ATOM 360 CD1 PHE A 26 -3.698 12.612 2.272 1.00 0.00 C ATOM 361 CD2 PHE A 26 -2.370 13.440 0.473 1.00 0.00 C ATOM 362 CE1 PHE A 26 -4.420 13.790 2.286 1.00 0.00 C ATOM 363 CE2 PHE A 26 -3.089 14.621 0.482 1.00 0.00 C ATOM 364 CZ PHE A 26 -4.116 14.795 1.389 1.00 0.00 C ATOM 0 H PHE A 26 -0.249 12.481 2.652 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.207 10.775 3.449 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.028 11.253 0.687 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.506 10.348 0.945 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.941 11.829 2.974 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.569 13.308 -0.239 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.221 13.925 2.998 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.848 15.406 -0.219 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.680 15.716 1.397 1.00 0.00 H new ATOM 374 N CYS A 27 0.389 9.113 2.337 1.00 0.00 N ATOM 375 CA CYS A 27 0.991 7.787 2.252 1.00 0.00 C ATOM 376 C CYS A 27 1.106 7.152 3.634 1.00 0.00 C ATOM 377 O CYS A 27 0.879 5.954 3.799 1.00 0.00 O ATOM 378 CB CYS A 27 2.373 7.873 1.600 1.00 0.00 C ATOM 379 SG CYS A 27 2.414 8.862 0.087 1.00 0.00 S ATOM 0 H CYS A 27 1.021 9.879 2.105 1.00 0.00 H new ATOM 0 HA CYS A 27 0.345 7.160 1.637 1.00 0.00 H new ATOM 0 HB2 CYS A 27 3.076 8.296 2.317 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.719 6.865 1.372 1.00 0.00 H new ATOM 0 HG CYS A 27 1.781 9.980 0.282 1.00 0.00 H new ATOM 385 N PHE A 28 1.463 7.963 4.624 1.00 0.00 N ATOM 386 CA PHE A 28 1.611 7.481 5.992 1.00 0.00 C ATOM 387 C PHE A 28 0.285 6.948 6.528 1.00 0.00 C ATOM 388 O PHE A 28 0.186 5.787 6.927 1.00 0.00 O ATOM 389 CB PHE A 28 2.127 8.601 6.897 1.00 0.00 C ATOM 390 CG PHE A 28 1.727 8.441 8.337 1.00 0.00 C ATOM 391 CD1 PHE A 28 1.902 7.230 8.987 1.00 0.00 C ATOM 392 CD2 PHE A 28 1.176 9.501 9.039 1.00 0.00 C ATOM 393 CE1 PHE A 28 1.535 7.078 10.312 1.00 0.00 C ATOM 394 CE2 PHE A 28 0.808 9.355 10.363 1.00 0.00 C ATOM 395 CZ PHE A 28 0.987 8.143 11.000 1.00 0.00 C ATOM 0 H PHE A 28 1.655 8.958 4.504 1.00 0.00 H new ATOM 0 HA PHE A 28 2.334 6.666 5.987 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.214 8.638 6.832 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.753 9.556 6.528 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.330 6.395 8.453 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.033 10.451 8.546 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.677 6.129 10.807 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.380 10.189 10.900 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.699 8.028 12.035 1.00 0.00 H new ATOM 405 N CYS A 29 -0.729 7.805 6.533 1.00 0.00 N ATOM 406 CA CYS A 29 -2.050 7.422 7.021 1.00 0.00 C ATOM 407 C CYS A 29 -2.559 6.180 6.296 1.00 0.00 C ATOM 408 O CYS A 29 -3.168 5.300 6.904 1.00 0.00 O ATOM 409 CB CYS A 29 -3.039 8.575 6.838 1.00 0.00 C ATOM 410 SG CYS A 29 -2.572 10.091 7.705 1.00 0.00 S ATOM 0 H CYS A 29 -0.663 8.769 6.205 1.00 0.00 H new ATOM 0 HA CYS A 29 -1.964 7.191 8.083 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -3.135 8.792 5.774 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -4.021 8.257 7.188 1.00 0.00 H new ATOM 0 HG CYS A 29 -3.344 11.065 7.323 1.00 0.00 H new ATOM 416 N TYR A 30 -2.307 6.118 4.994 1.00 0.00 N ATOM 417 CA TYR A 30 -2.743 4.986 4.184 1.00 0.00 C ATOM 418 C TYR A 30 -2.021 3.708 4.602 1.00 0.00 C ATOM 419 O TYR A 30 -2.639 2.764 5.092 1.00 0.00 O ATOM 420 CB TYR A 30 -2.491 5.266 2.701 1.00 0.00 C ATOM 421 CG TYR A 30 -2.888 4.123 1.795 1.00 0.00 C ATOM 422 CD1 TYR A 30 -4.100 3.463 1.964 1.00 0.00 C ATOM 423 CD2 TYR A 30 -2.052 3.701 0.769 1.00 0.00 C ATOM 424 CE1 TYR A 30 -4.466 2.419 1.137 1.00 0.00 C ATOM 425 CE2 TYR A 30 -2.411 2.658 -0.064 1.00 0.00 C ATOM 426 CZ TYR A 30 -3.619 2.020 0.126 1.00 0.00 C ATOM 427 OH TYR A 30 -3.980 0.979 -0.700 1.00 0.00 O ATOM 0 H TYR A 30 -1.803 6.838 4.476 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.812 4.847 4.344 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.044 6.159 2.409 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -1.433 5.484 2.555 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.767 3.772 2.755 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.104 4.197 0.619 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.412 1.918 1.282 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.750 2.345 -0.858 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.273 0.825 -1.360 1.00 0.00 H new ATOM 437 N GLY A 31 -0.706 3.686 4.404 1.00 0.00 N ATOM 438 CA GLY A 31 0.079 2.520 4.765 1.00 0.00 C ATOM 439 C GLY A 31 0.002 2.205 6.246 1.00 0.00 C ATOM 440 O GLY A 31 0.211 1.064 6.657 1.00 0.00 O ATOM 0 H GLY A 31 -0.171 4.455 4.000 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.271 1.659 4.195 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.119 2.686 4.486 1.00 0.00 H new ATOM 444 N LYS A 32 -0.299 3.220 7.050 1.00 0.00 N ATOM 445 CA LYS A 32 -0.403 3.046 8.494 1.00 0.00 C ATOM 446 C LYS A 32 -1.644 2.236 8.857 1.00 0.00 C ATOM 447 O LYS A 32 -1.576 1.307 9.660 1.00 0.00 O ATOM 448 CB LYS A 32 -0.449 4.410 9.190 1.00 0.00 C ATOM 449 CG LYS A 32 -0.994 4.351 10.607 1.00 0.00 C ATOM 450 CD LYS A 32 -2.505 4.505 10.630 1.00 0.00 C ATOM 451 CE LYS A 32 -2.978 5.169 11.913 1.00 0.00 C ATOM 452 NZ LYS A 32 -4.340 4.712 12.305 1.00 0.00 N ATOM 0 H LYS A 32 -0.475 4.171 6.726 1.00 0.00 H new ATOM 0 HA LYS A 32 0.477 2.500 8.834 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.556 4.831 9.213 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.065 5.089 8.600 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.717 3.401 11.065 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.538 5.139 11.206 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.824 5.098 9.773 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.973 3.526 10.532 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.276 4.948 12.717 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.982 6.251 11.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -4.626 5.188 13.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.015 4.946 11.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.331 3.683 12.455 1.00 0.00 H new ATOM 466 N ALA A 33 -2.774 2.595 8.258 1.00 0.00 N ATOM 467 CA ALA A 33 -4.028 1.899 8.515 1.00 0.00 C ATOM 468 C ALA A 33 -3.971 0.459 8.016 1.00 0.00 C ATOM 469 O ALA A 33 -4.607 -0.432 8.580 1.00 0.00 O ATOM 470 CB ALA A 33 -5.187 2.638 7.862 1.00 0.00 C ATOM 0 H ALA A 33 -2.847 3.364 7.591 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.186 1.877 9.593 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.117 2.106 8.063 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.251 3.647 8.269 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.024 2.691 6.785 1.00 0.00 H new ATOM 476 N LEU A 34 -3.204 0.237 6.954 1.00 0.00 N ATOM 477 CA LEU A 34 -3.062 -1.096 6.377 1.00 0.00 C ATOM 478 C LEU A 34 -2.441 -2.061 7.383 1.00 0.00 C ATOM 479 O LEU A 34 -2.770 -3.246 7.405 1.00 0.00 O ATOM 480 CB LEU A 34 -2.204 -1.037 5.112 1.00 0.00 C ATOM 481 CG LEU A 34 -2.948 -0.742 3.810 1.00 0.00 C ATOM 482 CD1 LEU A 34 -1.979 -0.276 2.735 1.00 0.00 C ATOM 483 CD2 LEU A 34 -3.715 -1.971 3.343 1.00 0.00 C ATOM 0 H LEU A 34 -2.671 0.963 6.475 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.056 -1.461 6.117 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.439 -0.273 5.251 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.686 -1.990 5.003 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.664 0.059 3.997 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.527 -0.071 1.815 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.476 0.632 3.068 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.239 -1.054 2.550 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.239 -1.742 2.415 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.018 -2.792 3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.438 -2.260 4.106 1.00 0.00 H new ATOM 495 N GLY A 35 -1.542 -1.544 8.215 1.00 0.00 N ATOM 496 CA GLY A 35 -0.891 -2.373 9.213 1.00 0.00 C ATOM 497 C GLY A 35 0.492 -2.819 8.781 1.00 0.00 C ATOM 498 O GLY A 35 1.009 -3.823 9.271 1.00 0.00 O ATOM 0 H GLY A 35 -1.253 -0.566 8.216 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.815 -1.819 10.149 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.507 -3.250 9.411 1.00 0.00 H new ATOM 502 N LYS A 36 1.094 -2.072 7.863 1.00 0.00 N ATOM 503 CA LYS A 36 2.426 -2.394 7.366 1.00 0.00 C ATOM 504 C LYS A 36 3.499 -1.685 8.185 1.00 0.00 C ATOM 505 O LYS A 36 3.192 -0.943 9.119 1.00 0.00 O ATOM 506 CB LYS A 36 2.552 -2.002 5.892 1.00 0.00 C ATOM 507 CG LYS A 36 1.408 -2.506 5.028 1.00 0.00 C ATOM 508 CD LYS A 36 1.885 -2.880 3.636 1.00 0.00 C ATOM 509 CE LYS A 36 2.003 -1.656 2.739 1.00 0.00 C ATOM 510 NZ LYS A 36 2.886 -1.909 1.568 1.00 0.00 N ATOM 0 H LYS A 36 0.680 -1.238 7.447 1.00 0.00 H new ATOM 0 HA LYS A 36 2.572 -3.470 7.463 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.602 -0.916 5.817 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.491 -2.392 5.500 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.948 -3.373 5.501 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.639 -1.737 4.956 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.852 -3.378 3.703 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.190 -3.593 3.191 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.012 -1.365 2.390 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.397 -0.819 3.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.696 -1.257 1.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.230 -2.890 1.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.350 -1.757 0.690 1.00 0.00 H new ATOM 524 N SER A 37 4.759 -1.914 7.828 1.00 0.00 N ATOM 525 CA SER A 37 5.878 -1.299 8.532 1.00 0.00 C ATOM 526 C SER A 37 6.528 -0.216 7.676 1.00 0.00 C ATOM 527 O SER A 37 7.669 0.181 7.917 1.00 0.00 O ATOM 528 CB SER A 37 6.915 -2.358 8.909 1.00 0.00 C ATOM 529 OG SER A 37 7.565 -2.869 7.758 1.00 0.00 O ATOM 0 H SER A 37 5.030 -2.521 7.055 1.00 0.00 H new ATOM 0 HA SER A 37 5.494 -0.838 9.442 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.653 -1.925 9.585 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.429 -3.172 9.447 1.00 0.00 H new ATOM 0 HG SER A 37 8.224 -3.543 8.027 1.00 0.00 H new ATOM 535 N THR A 38 5.794 0.260 6.675 1.00 0.00 N ATOM 536 CA THR A 38 6.298 1.295 5.782 1.00 0.00 C ATOM 537 C THR A 38 5.158 2.132 5.211 1.00 0.00 C ATOM 538 O THR A 38 3.984 1.817 5.409 1.00 0.00 O ATOM 539 CB THR A 38 7.106 0.690 4.619 1.00 0.00 C ATOM 540 OG1 THR A 38 6.301 -0.250 3.899 1.00 0.00 O ATOM 541 CG2 THR A 38 8.361 0.001 5.134 1.00 0.00 C ATOM 0 H THR A 38 4.848 -0.056 6.463 1.00 0.00 H new ATOM 0 HA THR A 38 6.952 1.933 6.376 1.00 0.00 H new ATOM 0 HB THR A 38 7.402 1.499 3.952 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.822 -0.629 3.160 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.916 -0.419 4.295 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.986 0.726 5.656 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.082 -0.798 5.821 1.00 0.00 H new ATOM 549 N VAL A 39 5.510 3.199 4.502 1.00 0.00 N ATOM 550 CA VAL A 39 4.516 4.079 3.901 1.00 0.00 C ATOM 551 C VAL A 39 4.156 3.622 2.491 1.00 0.00 C ATOM 552 O VAL A 39 5.021 3.195 1.727 1.00 0.00 O ATOM 553 CB VAL A 39 5.016 5.535 3.844 1.00 0.00 C ATOM 554 CG1 VAL A 39 4.847 6.211 5.196 1.00 0.00 C ATOM 555 CG2 VAL A 39 6.469 5.581 3.393 1.00 0.00 C ATOM 0 H VAL A 39 6.477 3.475 4.330 1.00 0.00 H new ATOM 0 HA VAL A 39 3.629 4.031 4.533 1.00 0.00 H new ATOM 0 HB VAL A 39 4.415 6.079 3.115 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.206 7.239 5.136 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.793 6.210 5.474 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.421 5.669 5.948 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.807 6.617 3.358 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.086 5.022 4.096 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.556 5.137 2.401 1.00 0.00 H new ATOM 565 N VAL A 40 2.874 3.714 2.154 1.00 0.00 N ATOM 566 CA VAL A 40 2.399 3.311 0.836 1.00 0.00 C ATOM 567 C VAL A 40 1.821 4.498 0.074 1.00 0.00 C ATOM 568 O VAL A 40 1.075 5.313 0.617 1.00 0.00 O ATOM 569 CB VAL A 40 1.328 2.209 0.938 1.00 0.00 C ATOM 570 CG1 VAL A 40 0.920 1.730 -0.447 1.00 0.00 C ATOM 571 CG2 VAL A 40 1.835 1.050 1.784 1.00 0.00 C ATOM 0 H VAL A 40 2.145 4.064 2.776 1.00 0.00 H new ATOM 0 HA VAL A 40 3.261 2.920 0.295 1.00 0.00 H new ATOM 0 HB VAL A 40 0.447 2.627 1.425 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.163 0.952 -0.354 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.513 2.566 -1.016 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.791 1.329 -0.965 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.065 0.280 1.845 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.732 0.631 1.327 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.072 1.407 2.786 1.00 0.00 H new ATOM 581 N PRO A 41 2.171 4.599 -1.217 1.00 0.00 N ATOM 582 CA PRO A 41 1.697 5.682 -2.083 1.00 0.00 C ATOM 583 C PRO A 41 0.209 5.567 -2.395 1.00 0.00 C ATOM 584 O PRO A 41 -0.248 4.555 -2.926 1.00 0.00 O ATOM 585 CB PRO A 41 2.525 5.506 -3.359 1.00 0.00 C ATOM 586 CG PRO A 41 2.896 4.064 -3.371 1.00 0.00 C ATOM 587 CD PRO A 41 3.056 3.663 -1.931 1.00 0.00 C ATOM 0 HA PRO A 41 1.814 6.659 -1.613 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.950 5.775 -4.245 1.00 0.00 H new ATOM 0 HB3 PRO A 41 3.410 6.143 -3.348 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.125 3.467 -3.858 1.00 0.00 H new ATOM 0 HG3 PRO A 41 3.821 3.904 -3.925 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.761 2.627 -1.767 1.00 0.00 H new ATOM 0 HD3 PRO A 41 4.090 3.756 -1.600 1.00 0.00 H new ATOM 595 N VAL A 42 -0.545 6.611 -2.060 1.00 0.00 N ATOM 596 CA VAL A 42 -1.982 6.626 -2.306 1.00 0.00 C ATOM 597 C VAL A 42 -2.283 6.803 -3.789 1.00 0.00 C ATOM 598 O VAL A 42 -2.038 7.857 -4.377 1.00 0.00 O ATOM 599 CB VAL A 42 -2.674 7.751 -1.514 1.00 0.00 C ATOM 600 CG1 VAL A 42 -4.171 7.747 -1.779 1.00 0.00 C ATOM 601 CG2 VAL A 42 -2.387 7.610 -0.026 1.00 0.00 C ATOM 0 H VAL A 42 -0.184 7.456 -1.618 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.371 5.664 -1.972 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.272 8.707 -1.849 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.643 8.549 -1.211 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.353 7.900 -2.843 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.592 6.789 -1.473 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.884 8.413 0.518 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.759 6.648 0.327 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.312 7.667 0.144 1.00 0.00 H new ATOM 611 N PRO A 43 -2.831 5.750 -4.412 1.00 0.00 N ATOM 612 CA PRO A 43 -3.180 5.764 -5.836 1.00 0.00 C ATOM 613 C PRO A 43 -4.364 6.677 -6.133 1.00 0.00 C ATOM 614 O PRO A 43 -5.497 6.216 -6.272 1.00 0.00 O ATOM 615 CB PRO A 43 -3.543 4.306 -6.128 1.00 0.00 C ATOM 616 CG PRO A 43 -3.976 3.753 -4.813 1.00 0.00 C ATOM 617 CD PRO A 43 -3.151 4.461 -3.774 1.00 0.00 C ATOM 0 HA PRO A 43 -2.365 6.145 -6.451 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -4.340 4.237 -6.868 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -2.689 3.758 -6.526 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.040 3.924 -4.649 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.816 2.676 -4.771 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.706 4.599 -2.846 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.250 3.901 -3.526 1.00 0.00 H new ATOM 625 N TYR A 44 -4.095 7.974 -6.229 1.00 0.00 N ATOM 626 CA TYR A 44 -5.138 8.954 -6.507 1.00 0.00 C ATOM 627 C TYR A 44 -5.991 8.517 -7.695 1.00 0.00 C ATOM 628 O TYR A 44 -7.218 8.473 -7.609 1.00 0.00 O ATOM 629 CB TYR A 44 -4.520 10.325 -6.786 1.00 0.00 C ATOM 630 CG TYR A 44 -3.606 10.812 -5.685 1.00 0.00 C ATOM 631 CD1 TYR A 44 -4.121 11.369 -4.522 1.00 0.00 C ATOM 632 CD2 TYR A 44 -2.224 10.715 -5.809 1.00 0.00 C ATOM 633 CE1 TYR A 44 -3.290 11.816 -3.514 1.00 0.00 C ATOM 634 CE2 TYR A 44 -1.384 11.158 -4.805 1.00 0.00 C ATOM 635 CZ TYR A 44 -1.921 11.707 -3.660 1.00 0.00 C ATOM 636 OH TYR A 44 -1.090 12.150 -2.657 1.00 0.00 O ATOM 0 H TYR A 44 -3.162 8.372 -6.118 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.778 9.025 -5.628 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -3.958 10.278 -7.719 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.319 11.052 -6.931 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -5.191 11.454 -4.404 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -1.800 10.286 -6.705 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.708 12.248 -2.617 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.313 11.075 -4.917 1.00 0.00 H new ATOM 0 HH TYR A 44 -0.157 12.000 -2.916 1.00 0.00 H new ATOM 646 N GLU A 45 -5.331 8.194 -8.803 1.00 0.00 N ATOM 647 CA GLU A 45 -6.029 7.761 -10.007 1.00 0.00 C ATOM 648 C GLU A 45 -7.084 6.709 -9.677 1.00 0.00 C ATOM 649 O GLU A 45 -8.249 6.844 -10.048 1.00 0.00 O ATOM 650 CB GLU A 45 -5.033 7.199 -11.025 1.00 0.00 C ATOM 651 CG GLU A 45 -5.693 6.437 -12.163 1.00 0.00 C ATOM 652 CD GLU A 45 -4.696 5.975 -13.209 1.00 0.00 C ATOM 653 OE1 GLU A 45 -3.788 6.761 -13.551 1.00 0.00 O ATOM 654 OE2 GLU A 45 -4.823 4.827 -13.685 1.00 0.00 O ATOM 0 H GLU A 45 -4.315 8.224 -8.891 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.529 8.628 -10.438 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.447 8.020 -11.439 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.336 6.537 -10.512 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.219 5.571 -11.760 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.442 7.073 -12.635 1.00 0.00 H new ATOM 661 N LYS A 46 -6.665 5.660 -8.977 1.00 0.00 N ATOM 662 CA LYS A 46 -7.572 4.584 -8.595 1.00 0.00 C ATOM 663 C LYS A 46 -8.627 5.085 -7.614 1.00 0.00 C ATOM 664 O LYS A 46 -9.826 4.987 -7.874 1.00 0.00 O ATOM 665 CB LYS A 46 -6.790 3.427 -7.971 1.00 0.00 C ATOM 666 CG LYS A 46 -5.668 2.905 -8.853 1.00 0.00 C ATOM 667 CD LYS A 46 -5.425 1.422 -8.629 1.00 0.00 C ATOM 668 CE LYS A 46 -6.561 0.580 -9.187 1.00 0.00 C ATOM 669 NZ LYS A 46 -6.313 0.184 -10.602 1.00 0.00 N ATOM 0 H LYS A 46 -5.703 5.532 -8.663 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.075 4.231 -9.495 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.371 3.754 -7.020 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.478 2.611 -7.752 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.916 3.080 -9.900 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.753 3.460 -8.645 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.488 1.130 -9.103 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.317 1.227 -7.562 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.685 -0.314 -8.576 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.494 1.141 -9.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.110 -0.389 -10.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.220 1.037 -11.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.436 -0.373 -10.658 1.00 0.00 H new ATOM 683 N MET A 47 -8.174 5.622 -6.487 1.00 0.00 N ATOM 684 CA MET A 47 -9.080 6.140 -5.469 1.00 0.00 C ATOM 685 C MET A 47 -10.137 7.046 -6.092 1.00 0.00 C ATOM 686 O MET A 47 -11.279 7.093 -5.631 1.00 0.00 O ATOM 687 CB MET A 47 -8.297 6.909 -4.402 1.00 0.00 C ATOM 688 CG MET A 47 -7.729 6.021 -3.307 1.00 0.00 C ATOM 689 SD MET A 47 -8.936 5.643 -2.023 1.00 0.00 S ATOM 690 CE MET A 47 -8.853 7.133 -1.032 1.00 0.00 C ATOM 0 H MET A 47 -7.185 5.710 -6.255 1.00 0.00 H new ATOM 0 HA MET A 47 -9.583 5.293 -5.001 1.00 0.00 H new ATOM 0 HB2 MET A 47 -7.480 7.449 -4.881 1.00 0.00 H new ATOM 0 HB3 MET A 47 -8.951 7.655 -3.951 1.00 0.00 H new ATOM 0 HG2 MET A 47 -7.371 5.091 -3.748 1.00 0.00 H new ATOM 0 HG3 MET A 47 -6.867 6.513 -2.856 1.00 0.00 H new ATOM 0 HE1 MET A 47 -9.097 6.895 0.003 1.00 0.00 H new ATOM 0 HE2 MET A 47 -7.846 7.547 -1.081 1.00 0.00 H new ATOM 0 HE3 MET A 47 -9.565 7.864 -1.414 1.00 0.00 H new ATOM 700 N LEU A 48 -9.751 7.764 -7.141 1.00 0.00 N ATOM 701 CA LEU A 48 -10.665 8.670 -7.827 1.00 0.00 C ATOM 702 C LEU A 48 -11.868 7.912 -8.381 1.00 0.00 C ATOM 703 O LEU A 48 -12.974 8.447 -8.446 1.00 0.00 O ATOM 704 CB LEU A 48 -9.939 9.396 -8.961 1.00 0.00 C ATOM 705 CG LEU A 48 -9.084 10.596 -8.551 1.00 0.00 C ATOM 706 CD1 LEU A 48 -8.209 11.048 -9.709 1.00 0.00 C ATOM 707 CD2 LEU A 48 -9.964 11.738 -8.066 1.00 0.00 C ATOM 0 H LEU A 48 -8.811 7.736 -7.535 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.022 9.404 -7.104 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.299 8.678 -9.474 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.682 9.734 -9.683 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.435 10.292 -7.730 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.608 11.903 -9.399 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.552 10.232 -10.009 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.839 11.334 -10.551 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.338 12.583 -7.779 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -10.639 12.042 -8.866 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -10.546 11.409 -7.205 1.00 0.00 H new ATOM 719 N ARG A 49 -11.643 6.664 -8.778 1.00 0.00 N ATOM 720 CA ARG A 49 -12.708 5.831 -9.325 1.00 0.00 C ATOM 721 C ARG A 49 -13.457 5.105 -8.211 1.00 0.00 C ATOM 722 O ARG A 49 -14.682 4.984 -8.251 1.00 0.00 O ATOM 723 CB ARG A 49 -12.133 4.816 -10.314 1.00 0.00 C ATOM 724 CG ARG A 49 -10.934 5.333 -11.091 1.00 0.00 C ATOM 725 CD ARG A 49 -11.315 6.498 -11.992 1.00 0.00 C ATOM 726 NE ARG A 49 -12.312 6.116 -12.989 1.00 0.00 N ATOM 727 CZ ARG A 49 -12.682 6.900 -13.995 1.00 0.00 C ATOM 728 NH1 ARG A 49 -12.142 8.103 -14.136 1.00 0.00 N ATOM 729 NH2 ARG A 49 -13.595 6.482 -14.862 1.00 0.00 N ATOM 0 H ARG A 49 -10.732 6.207 -8.731 1.00 0.00 H new ATOM 0 HA ARG A 49 -13.411 6.480 -9.848 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.843 3.917 -9.771 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -12.913 4.525 -11.018 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.157 5.649 -10.395 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -10.514 4.527 -11.694 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.705 7.314 -11.384 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.424 6.873 -12.496 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.748 5.197 -12.908 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.441 8.428 -13.471 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -12.428 8.703 -14.910 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -14.013 5.558 -14.756 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -13.879 7.085 -15.634 1.00 0.00 H new ATOM 743 N ASP A 50 -12.713 4.625 -7.221 1.00 0.00 N ATOM 744 CA ASP A 50 -13.307 3.912 -6.096 1.00 0.00 C ATOM 745 C ASP A 50 -12.822 4.489 -4.769 1.00 0.00 C ATOM 746 O ASP A 50 -11.801 4.059 -4.233 1.00 0.00 O ATOM 747 CB ASP A 50 -12.969 2.423 -6.174 1.00 0.00 C ATOM 748 CG ASP A 50 -13.998 1.634 -6.959 1.00 0.00 C ATOM 749 OD1 ASP A 50 -15.141 2.120 -7.093 1.00 0.00 O ATOM 750 OD2 ASP A 50 -13.661 0.532 -7.439 1.00 0.00 O ATOM 0 H ASP A 50 -11.698 4.716 -7.174 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.389 4.034 -6.150 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.990 2.300 -6.638 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.897 2.017 -5.165 1.00 0.00 H new ATOM 755 N GLN A 51 -13.560 5.463 -4.248 1.00 0.00 N ATOM 756 CA GLN A 51 -13.203 6.099 -2.986 1.00 0.00 C ATOM 757 C GLN A 51 -13.651 5.248 -1.802 1.00 0.00 C ATOM 758 O GLN A 51 -13.148 5.402 -0.689 1.00 0.00 O ATOM 759 CB GLN A 51 -13.833 7.491 -2.896 1.00 0.00 C ATOM 760 CG GLN A 51 -13.500 8.386 -4.078 1.00 0.00 C ATOM 761 CD GLN A 51 -13.919 9.826 -3.855 1.00 0.00 C ATOM 762 OE1 GLN A 51 -14.802 10.110 -3.046 1.00 0.00 O ATOM 763 NE2 GLN A 51 -13.284 10.745 -4.574 1.00 0.00 N ATOM 0 H GLN A 51 -14.408 5.829 -4.680 1.00 0.00 H new ATOM 0 HA GLN A 51 -12.118 6.196 -2.951 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -14.916 7.387 -2.823 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -13.497 7.974 -1.979 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -12.427 8.349 -4.266 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -13.994 8.002 -4.970 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -12.558 10.465 -5.233 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -13.522 11.731 -4.467 1.00 0.00 H new ATOM 772 N SER A 52 -14.600 4.351 -2.050 1.00 0.00 N ATOM 773 CA SER A 52 -15.118 3.478 -1.002 1.00 0.00 C ATOM 774 C SER A 52 -14.000 2.643 -0.388 1.00 0.00 C ATOM 775 O SER A 52 -13.888 2.536 0.832 1.00 0.00 O ATOM 776 CB SER A 52 -16.205 2.561 -1.566 1.00 0.00 C ATOM 777 OG SER A 52 -15.805 1.998 -2.804 1.00 0.00 O ATOM 0 H SER A 52 -15.026 4.209 -2.966 1.00 0.00 H new ATOM 0 HA SER A 52 -15.549 4.104 -0.221 1.00 0.00 H new ATOM 0 HB2 SER A 52 -16.420 1.765 -0.853 1.00 0.00 H new ATOM 0 HB3 SER A 52 -17.128 3.125 -1.701 1.00 0.00 H new ATOM 0 HG SER A 52 -16.516 1.415 -3.143 1.00 0.00 H new ATOM 783 N ALA A 53 -13.172 2.052 -1.245 1.00 0.00 N ATOM 784 CA ALA A 53 -12.060 1.228 -0.788 1.00 0.00 C ATOM 785 C ALA A 53 -11.377 1.851 0.425 1.00 0.00 C ATOM 786 O ALA A 53 -11.039 1.158 1.385 1.00 0.00 O ATOM 787 CB ALA A 53 -11.058 1.022 -1.914 1.00 0.00 C ATOM 0 H ALA A 53 -13.251 2.129 -2.259 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.457 0.258 -0.489 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.233 0.405 -1.558 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.548 0.525 -2.751 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -10.674 1.988 -2.240 1.00 0.00 H new ATOM 793 N VAL A 54 -11.174 3.163 0.374 1.00 0.00 N ATOM 794 CA VAL A 54 -10.531 3.881 1.469 1.00 0.00 C ATOM 795 C VAL A 54 -11.098 5.289 1.612 1.00 0.00 C ATOM 796 O VAL A 54 -11.226 6.022 0.630 1.00 0.00 O ATOM 797 CB VAL A 54 -9.007 3.973 1.261 1.00 0.00 C ATOM 798 CG1 VAL A 54 -8.317 4.397 2.548 1.00 0.00 C ATOM 799 CG2 VAL A 54 -8.457 2.644 0.764 1.00 0.00 C ATOM 0 H VAL A 54 -11.445 3.751 -0.414 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.734 3.317 2.379 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.806 4.730 0.503 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.241 4.456 2.382 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.691 5.373 2.857 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.523 3.666 3.329 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.379 2.726 0.622 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.668 1.866 1.497 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.929 2.387 -0.184 1.00 0.00 H new ATOM 809 N VAL A 55 -11.438 5.661 2.842 1.00 0.00 N ATOM 810 CA VAL A 55 -11.991 6.983 3.115 1.00 0.00 C ATOM 811 C VAL A 55 -10.941 7.901 3.731 1.00 0.00 C ATOM 812 O VAL A 55 -10.046 7.447 4.444 1.00 0.00 O ATOM 813 CB VAL A 55 -13.203 6.899 4.062 1.00 0.00 C ATOM 814 CG1 VAL A 55 -13.800 8.280 4.288 1.00 0.00 C ATOM 815 CG2 VAL A 55 -14.248 5.943 3.505 1.00 0.00 C ATOM 0 H VAL A 55 -11.340 5.066 3.665 1.00 0.00 H new ATOM 0 HA VAL A 55 -12.314 7.395 2.159 1.00 0.00 H new ATOM 0 HB VAL A 55 -12.865 6.513 5.024 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -14.655 8.201 4.959 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -13.049 8.933 4.732 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -14.125 8.697 3.334 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -15.097 5.895 4.186 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.584 6.298 2.531 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -13.812 4.950 3.398 1.00 0.00 H new ATOM 825 N VAL A 56 -11.057 9.195 3.452 1.00 0.00 N ATOM 826 CA VAL A 56 -10.120 10.179 3.980 1.00 0.00 C ATOM 827 C VAL A 56 -10.842 11.243 4.798 1.00 0.00 C ATOM 828 O VAL A 56 -11.670 11.987 4.273 1.00 0.00 O ATOM 829 CB VAL A 56 -9.331 10.864 2.849 1.00 0.00 C ATOM 830 CG1 VAL A 56 -8.173 11.672 3.419 1.00 0.00 C ATOM 831 CG2 VAL A 56 -8.831 9.834 1.848 1.00 0.00 C ATOM 0 H VAL A 56 -11.792 9.587 2.863 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.425 9.641 4.624 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.999 11.549 2.327 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.627 12.149 2.605 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.560 12.436 4.093 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.502 11.010 3.967 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.276 10.336 1.056 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -8.178 9.122 2.354 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.680 9.304 1.416 1.00 0.00 H new ATOM 841 N GLN A 57 -10.524 11.308 6.087 1.00 0.00 N ATOM 842 CA GLN A 57 -11.143 12.282 6.978 1.00 0.00 C ATOM 843 C GLN A 57 -10.180 13.419 7.295 1.00 0.00 C ATOM 844 O GLN A 57 -8.994 13.351 6.974 1.00 0.00 O ATOM 845 CB GLN A 57 -11.595 11.604 8.273 1.00 0.00 C ATOM 846 CG GLN A 57 -12.802 10.696 8.097 1.00 0.00 C ATOM 847 CD GLN A 57 -13.628 10.573 9.362 1.00 0.00 C ATOM 848 OE1 GLN A 57 -13.311 11.178 10.386 1.00 0.00 O ATOM 849 NE2 GLN A 57 -14.695 9.785 9.297 1.00 0.00 N ATOM 0 H GLN A 57 -9.842 10.698 6.537 1.00 0.00 H new ATOM 0 HA GLN A 57 -12.013 12.699 6.471 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -10.767 11.020 8.675 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -11.832 12.371 9.011 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -13.429 11.083 7.294 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -12.465 9.706 7.789 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -14.920 9.302 8.427 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -15.289 9.662 10.117 1.00 0.00 H new ATOM 858 N GLY A 58 -10.697 14.468 7.929 1.00 0.00 N ATOM 859 CA GLY A 58 -9.868 15.607 8.278 1.00 0.00 C ATOM 860 C GLY A 58 -9.778 16.624 7.157 1.00 0.00 C ATOM 861 O GLY A 58 -8.977 17.558 7.219 1.00 0.00 O ATOM 0 H GLY A 58 -11.675 14.549 8.207 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.273 16.088 9.169 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.866 15.260 8.530 1.00 0.00 H new ATOM 865 N LEU A 59 -10.599 16.442 6.129 1.00 0.00 N ATOM 866 CA LEU A 59 -10.607 17.351 4.987 1.00 0.00 C ATOM 867 C LEU A 59 -11.472 18.575 5.272 1.00 0.00 C ATOM 868 O LEU A 59 -12.445 18.517 6.023 1.00 0.00 O ATOM 869 CB LEU A 59 -11.120 16.629 3.739 1.00 0.00 C ATOM 870 CG LEU A 59 -10.108 15.742 3.013 1.00 0.00 C ATOM 871 CD1 LEU A 59 -10.618 15.374 1.629 1.00 0.00 C ATOM 872 CD2 LEU A 59 -8.759 16.439 2.920 1.00 0.00 C ATOM 0 H LEU A 59 -11.267 15.674 6.062 1.00 0.00 H new ATOM 0 HA LEU A 59 -9.584 17.684 4.812 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -11.973 16.014 4.025 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -11.487 17.377 3.036 1.00 0.00 H new ATOM 0 HG LEU A 59 -9.980 14.824 3.586 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.885 14.743 1.127 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -11.560 14.834 1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -10.775 16.281 1.046 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.051 15.793 2.400 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.869 17.373 2.370 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.389 16.650 3.923 1.00 0.00 H new ATOM 884 N PRO A 60 -11.110 19.711 4.657 1.00 0.00 N ATOM 885 CA PRO A 60 -11.841 20.970 4.827 1.00 0.00 C ATOM 886 C PRO A 60 -13.215 20.936 4.168 1.00 0.00 C ATOM 887 O PRO A 60 -13.665 19.889 3.704 1.00 0.00 O ATOM 888 CB PRO A 60 -10.942 21.998 4.136 1.00 0.00 C ATOM 889 CG PRO A 60 -10.165 21.211 3.137 1.00 0.00 C ATOM 890 CD PRO A 60 -9.960 19.853 3.748 1.00 0.00 C ATOM 0 HA PRO A 60 -12.035 21.190 5.877 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -11.531 22.778 3.654 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -10.283 22.491 4.850 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.705 21.137 2.193 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.210 21.690 2.921 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -9.947 19.069 2.991 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.013 19.793 4.285 1.00 0.00 H new ATOM 898 N GLU A 61 -13.877 22.089 4.131 1.00 0.00 N ATOM 899 CA GLU A 61 -15.201 22.188 3.528 1.00 0.00 C ATOM 900 C GLU A 61 -15.100 22.365 2.016 1.00 0.00 C ATOM 901 O GLU A 61 -14.040 22.702 1.489 1.00 0.00 O ATOM 902 CB GLU A 61 -15.976 23.359 4.138 1.00 0.00 C ATOM 903 CG GLU A 61 -17.485 23.207 4.038 1.00 0.00 C ATOM 904 CD GLU A 61 -18.231 24.359 4.685 1.00 0.00 C ATOM 905 OE1 GLU A 61 -18.049 25.509 4.235 1.00 0.00 O ATOM 906 OE2 GLU A 61 -18.995 24.109 5.640 1.00 0.00 O ATOM 0 H GLU A 61 -13.519 22.965 4.511 1.00 0.00 H new ATOM 0 HA GLU A 61 -15.735 21.260 3.732 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -15.698 23.461 5.187 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -15.678 24.281 3.638 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -17.771 23.138 2.988 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -17.785 22.273 4.512 1.00 0.00 H new ATOM 913 N GLY A 62 -16.210 22.133 1.322 1.00 0.00 N ATOM 914 CA GLY A 62 -16.225 22.270 -0.122 1.00 0.00 C ATOM 915 C GLY A 62 -14.997 21.667 -0.774 1.00 0.00 C ATOM 916 O GLY A 62 -14.562 22.119 -1.834 1.00 0.00 O ATOM 0 H GLY A 62 -17.100 21.852 1.735 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -17.118 21.788 -0.520 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -16.290 23.326 -0.383 1.00 0.00 H new ATOM 920 N VAL A 63 -14.434 20.642 -0.141 1.00 0.00 N ATOM 921 CA VAL A 63 -13.249 19.976 -0.665 1.00 0.00 C ATOM 922 C VAL A 63 -13.522 18.503 -0.939 1.00 0.00 C ATOM 923 O VAL A 63 -14.444 17.916 -0.372 1.00 0.00 O ATOM 924 CB VAL A 63 -12.061 20.094 0.309 1.00 0.00 C ATOM 925 CG1 VAL A 63 -12.184 19.071 1.426 1.00 0.00 C ATOM 926 CG2 VAL A 63 -10.745 19.929 -0.435 1.00 0.00 C ATOM 0 H VAL A 63 -14.781 20.255 0.737 1.00 0.00 H new ATOM 0 HA VAL A 63 -12.994 20.475 -1.600 1.00 0.00 H new ATOM 0 HB VAL A 63 -12.077 21.088 0.756 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -11.336 19.169 2.104 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.110 19.242 1.975 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -12.194 18.067 1.001 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.916 20.015 0.268 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -10.717 18.949 -0.911 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -10.657 20.705 -1.196 1.00 0.00 H new ATOM 936 N ALA A 64 -12.716 17.908 -1.812 1.00 0.00 N ATOM 937 CA ALA A 64 -12.869 16.501 -2.160 1.00 0.00 C ATOM 938 C ALA A 64 -11.513 15.824 -2.319 1.00 0.00 C ATOM 939 O ALA A 64 -10.677 16.262 -3.109 1.00 0.00 O ATOM 940 CB ALA A 64 -13.685 16.359 -3.436 1.00 0.00 C ATOM 0 H ALA A 64 -11.949 18.379 -2.292 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.399 16.007 -1.346 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.791 15.303 -3.684 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.672 16.798 -3.288 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -13.177 16.874 -4.252 1.00 0.00 H new ATOM 946 N PHE A 65 -11.299 14.753 -1.562 1.00 0.00 N ATOM 947 CA PHE A 65 -10.042 14.015 -1.617 1.00 0.00 C ATOM 948 C PHE A 65 -9.475 14.012 -3.034 1.00 0.00 C ATOM 949 O PHE A 65 -10.106 13.516 -3.967 1.00 0.00 O ATOM 950 CB PHE A 65 -10.248 12.578 -1.136 1.00 0.00 C ATOM 951 CG PHE A 65 -8.997 11.747 -1.175 1.00 0.00 C ATOM 952 CD1 PHE A 65 -8.032 11.879 -0.190 1.00 0.00 C ATOM 953 CD2 PHE A 65 -8.786 10.835 -2.197 1.00 0.00 C ATOM 954 CE1 PHE A 65 -6.879 11.116 -0.225 1.00 0.00 C ATOM 955 CE2 PHE A 65 -7.636 10.070 -2.235 1.00 0.00 C ATOM 956 CZ PHE A 65 -6.681 10.210 -1.247 1.00 0.00 C ATOM 0 H PHE A 65 -11.980 14.376 -0.903 1.00 0.00 H new ATOM 0 HA PHE A 65 -9.329 14.512 -0.959 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -10.631 12.596 -0.116 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.010 12.102 -1.754 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -8.182 12.585 0.614 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.529 10.721 -2.973 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.133 11.229 0.548 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.484 9.363 -3.037 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.782 9.612 -1.274 1.00 0.00 H new ATOM 966 N LYS A 66 -8.280 14.572 -3.187 1.00 0.00 N ATOM 967 CA LYS A 66 -7.625 14.636 -4.488 1.00 0.00 C ATOM 968 C LYS A 66 -6.160 15.036 -4.342 1.00 0.00 C ATOM 969 O LYS A 66 -5.721 15.437 -3.263 1.00 0.00 O ATOM 970 CB LYS A 66 -8.348 15.631 -5.398 1.00 0.00 C ATOM 971 CG LYS A 66 -8.229 17.073 -4.938 1.00 0.00 C ATOM 972 CD LYS A 66 -8.488 18.045 -6.077 1.00 0.00 C ATOM 973 CE LYS A 66 -9.948 18.026 -6.504 1.00 0.00 C ATOM 974 NZ LYS A 66 -10.113 18.417 -7.932 1.00 0.00 N ATOM 0 H LYS A 66 -7.745 14.989 -2.425 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.669 13.644 -4.937 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -7.946 15.546 -6.407 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.403 15.361 -5.452 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.939 17.258 -4.132 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.232 17.245 -4.531 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -8.211 19.053 -5.767 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -7.856 17.788 -6.927 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.358 17.028 -6.351 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.520 18.706 -5.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.122 18.392 -8.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -9.745 19.379 -8.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -9.588 17.753 -8.537 1.00 0.00 H new ATOM 988 N HIS A 67 -5.409 14.926 -5.433 1.00 0.00 N ATOM 989 CA HIS A 67 -3.994 15.279 -5.426 1.00 0.00 C ATOM 990 C HIS A 67 -3.759 16.565 -4.639 1.00 0.00 C ATOM 991 O HIS A 67 -4.544 17.512 -4.701 1.00 0.00 O ATOM 992 CB HIS A 67 -3.480 15.441 -6.856 1.00 0.00 C ATOM 993 CG HIS A 67 -2.041 15.058 -7.023 1.00 0.00 C ATOM 994 ND1 HIS A 67 -1.012 15.975 -7.007 1.00 0.00 N ATOM 995 CD2 HIS A 67 -1.465 13.848 -7.208 1.00 0.00 C ATOM 996 CE1 HIS A 67 0.137 15.345 -7.178 1.00 0.00 C ATOM 997 NE2 HIS A 67 -0.109 14.054 -7.302 1.00 0.00 N ATOM 0 H HIS A 67 -5.757 14.595 -6.333 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.446 14.472 -4.941 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.089 14.832 -7.523 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.609 16.478 -7.164 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -1.975 12.898 -7.270 1.00 0.00 H new ATOM 0 HE1 HIS A 67 1.112 15.808 -7.211 1.00 0.00 H new ATOM 0 HE2 HIS A 67 0.593 13.328 -7.444 1.00 0.00 H new ATOM 1005 N PRO A 68 -2.654 16.601 -3.880 1.00 0.00 N ATOM 1006 CA PRO A 68 -2.290 17.766 -3.067 1.00 0.00 C ATOM 1007 C PRO A 68 -1.864 18.957 -3.918 1.00 0.00 C ATOM 1008 O PRO A 68 -1.643 20.051 -3.401 1.00 0.00 O ATOM 1009 CB PRO A 68 -1.113 17.259 -2.229 1.00 0.00 C ATOM 1010 CG PRO A 68 -0.524 16.153 -3.033 1.00 0.00 C ATOM 1011 CD PRO A 68 -1.673 15.509 -3.758 1.00 0.00 C ATOM 0 HA PRO A 68 -3.130 18.127 -2.474 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.385 18.050 -2.050 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.445 16.905 -1.253 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.217 16.534 -3.736 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.015 15.433 -2.392 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.370 15.130 -4.734 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.078 14.665 -3.200 1.00 0.00 H new ATOM 1019 N GLU A 69 -1.752 18.736 -5.223 1.00 0.00 N ATOM 1020 CA GLU A 69 -1.351 19.792 -6.145 1.00 0.00 C ATOM 1021 C GLU A 69 -2.571 20.538 -6.680 1.00 0.00 C ATOM 1022 O GLU A 69 -2.464 21.673 -7.141 1.00 0.00 O ATOM 1023 CB GLU A 69 -0.546 19.209 -7.307 1.00 0.00 C ATOM 1024 CG GLU A 69 -1.409 18.640 -8.421 1.00 0.00 C ATOM 1025 CD GLU A 69 -1.793 19.682 -9.452 1.00 0.00 C ATOM 1026 OE1 GLU A 69 -1.530 20.879 -9.212 1.00 0.00 O ATOM 1027 OE2 GLU A 69 -2.354 19.302 -10.501 1.00 0.00 O ATOM 0 H GLU A 69 -1.933 17.835 -5.666 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.725 20.497 -5.599 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.097 19.987 -7.719 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.107 18.423 -6.927 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.872 17.829 -8.913 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.313 18.210 -7.991 1.00 0.00 H new ATOM 1034 N ASN A 70 -3.729 19.890 -6.614 1.00 0.00 N ATOM 1035 CA ASN A 70 -4.969 20.490 -7.093 1.00 0.00 C ATOM 1036 C ASN A 70 -5.523 21.481 -6.073 1.00 0.00 C ATOM 1037 O ASN A 70 -6.463 22.223 -6.360 1.00 0.00 O ATOM 1038 CB ASN A 70 -6.007 19.404 -7.383 1.00 0.00 C ATOM 1039 CG ASN A 70 -5.874 18.835 -8.781 1.00 0.00 C ATOM 1040 OD1 ASN A 70 -5.634 17.640 -8.957 1.00 0.00 O ATOM 1041 ND2 ASN A 70 -6.028 19.690 -9.786 1.00 0.00 N ATOM 0 H ASN A 70 -3.835 18.950 -6.234 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.751 21.029 -8.015 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.900 18.600 -6.655 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.007 19.818 -7.256 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.948 19.364 -10.749 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.226 20.672 -9.594 1.00 0.00 H new ATOM 1048 N TYR A 71 -4.933 21.487 -4.884 1.00 0.00 N ATOM 1049 CA TYR A 71 -5.368 22.385 -3.820 1.00 0.00 C ATOM 1050 C TYR A 71 -4.555 23.676 -3.830 1.00 0.00 C ATOM 1051 O TYR A 71 -3.324 23.648 -3.849 1.00 0.00 O ATOM 1052 CB TYR A 71 -5.239 21.699 -2.459 1.00 0.00 C ATOM 1053 CG TYR A 71 -6.105 20.467 -2.319 1.00 0.00 C ATOM 1054 CD1 TYR A 71 -7.427 20.470 -2.745 1.00 0.00 C ATOM 1055 CD2 TYR A 71 -5.599 19.300 -1.759 1.00 0.00 C ATOM 1056 CE1 TYR A 71 -8.221 19.347 -2.617 1.00 0.00 C ATOM 1057 CE2 TYR A 71 -6.386 18.171 -1.629 1.00 0.00 C ATOM 1058 CZ TYR A 71 -7.696 18.200 -2.059 1.00 0.00 C ATOM 1059 OH TYR A 71 -8.484 17.079 -1.931 1.00 0.00 O ATOM 0 H TYR A 71 -4.152 20.881 -4.632 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.414 22.634 -3.996 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -4.197 21.421 -2.299 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.503 22.410 -1.676 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -7.841 21.366 -3.184 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.574 19.275 -1.420 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -9.248 19.367 -2.952 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.977 17.271 -1.193 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.388 17.277 -2.252 1.00 0.00 H new ATOM 1069 N ASP A 72 -5.252 24.807 -3.816 1.00 0.00 N ATOM 1070 CA ASP A 72 -4.597 26.110 -3.822 1.00 0.00 C ATOM 1071 C ASP A 72 -3.655 26.250 -2.629 1.00 0.00 C ATOM 1072 O ASP A 72 -3.944 25.762 -1.536 1.00 0.00 O ATOM 1073 CB ASP A 72 -5.639 27.229 -3.799 1.00 0.00 C ATOM 1074 CG ASP A 72 -6.833 26.926 -4.682 1.00 0.00 C ATOM 1075 OD1 ASP A 72 -6.624 26.526 -5.846 1.00 0.00 O ATOM 1076 OD2 ASP A 72 -7.977 27.089 -4.208 1.00 0.00 O ATOM 0 H ASP A 72 -6.271 24.848 -3.800 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.010 26.190 -4.737 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.978 27.385 -2.775 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -5.176 28.160 -4.126 1.00 0.00 H new ATOM 1081 N LEU A 73 -2.528 26.917 -2.847 1.00 0.00 N ATOM 1082 CA LEU A 73 -1.543 27.120 -1.791 1.00 0.00 C ATOM 1083 C LEU A 73 -2.225 27.336 -0.444 1.00 0.00 C ATOM 1084 O LEU A 73 -1.859 26.714 0.554 1.00 0.00 O ATOM 1085 CB LEU A 73 -0.651 28.319 -2.121 1.00 0.00 C ATOM 1086 CG LEU A 73 0.406 28.677 -1.077 1.00 0.00 C ATOM 1087 CD1 LEU A 73 1.091 27.422 -0.558 1.00 0.00 C ATOM 1088 CD2 LEU A 73 1.428 29.640 -1.662 1.00 0.00 C ATOM 0 H LEU A 73 -2.273 27.327 -3.746 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.927 26.223 -1.726 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.146 28.121 -3.067 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.289 29.189 -2.276 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.090 29.168 -0.240 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.840 27.697 0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.350 26.766 -0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.574 26.902 -1.386 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.173 29.884 -0.905 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.919 29.175 -2.517 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.926 30.552 -1.984 1.00 0.00 H new ATOM 1100 N ALA A 74 -3.219 28.217 -0.424 1.00 0.00 N ATOM 1101 CA ALA A 74 -3.956 28.510 0.799 1.00 0.00 C ATOM 1102 C ALA A 74 -4.561 27.243 1.393 1.00 0.00 C ATOM 1103 O ALA A 74 -4.517 27.030 2.605 1.00 0.00 O ATOM 1104 CB ALA A 74 -5.044 29.538 0.527 1.00 0.00 C ATOM 0 H ALA A 74 -3.533 28.741 -1.241 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.255 28.922 1.525 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.586 29.747 1.449 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.591 30.457 0.156 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.735 29.147 -0.220 1.00 0.00 H new ATOM 1110 N THR A 75 -5.126 26.402 0.532 1.00 0.00 N ATOM 1111 CA THR A 75 -5.741 25.156 0.972 1.00 0.00 C ATOM 1112 C THR A 75 -4.688 24.160 1.445 1.00 0.00 C ATOM 1113 O THR A 75 -4.839 23.534 2.495 1.00 0.00 O ATOM 1114 CB THR A 75 -6.572 24.513 -0.153 1.00 0.00 C ATOM 1115 OG1 THR A 75 -7.668 25.366 -0.503 1.00 0.00 O ATOM 1116 CG2 THR A 75 -7.099 23.151 0.275 1.00 0.00 C ATOM 0 H THR A 75 -5.170 26.562 -0.474 1.00 0.00 H new ATOM 0 HA THR A 75 -6.400 25.405 1.804 1.00 0.00 H new ATOM 0 HB THR A 75 -5.926 24.379 -1.021 1.00 0.00 H new ATOM 0 HG1 THR A 75 -8.190 24.950 -1.220 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.683 22.716 -0.536 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.261 22.495 0.512 1.00 0.00 H new ATOM 0 HG23 THR A 75 -7.730 23.266 1.156 1.00 0.00 H new ATOM 1124 N LEU A 76 -3.623 24.018 0.665 1.00 0.00 N ATOM 1125 CA LEU A 76 -2.543 23.097 1.005 1.00 0.00 C ATOM 1126 C LEU A 76 -2.116 23.272 2.458 1.00 0.00 C ATOM 1127 O LEU A 76 -2.070 22.307 3.223 1.00 0.00 O ATOM 1128 CB LEU A 76 -1.346 23.322 0.079 1.00 0.00 C ATOM 1129 CG LEU A 76 -1.354 22.535 -1.232 1.00 0.00 C ATOM 1130 CD1 LEU A 76 -0.206 22.977 -2.127 1.00 0.00 C ATOM 1131 CD2 LEU A 76 -1.274 21.040 -0.958 1.00 0.00 C ATOM 0 H LEU A 76 -3.483 24.528 -0.207 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.911 22.079 0.874 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.291 24.384 -0.159 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.437 23.070 0.625 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.291 22.739 -1.750 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.228 22.406 -3.055 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.308 24.039 -2.352 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.741 22.803 -1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.281 20.496 -1.903 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.354 20.818 -0.418 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.130 20.734 -0.357 1.00 0.00 H new ATOM 1143 N LYS A 77 -1.808 24.507 2.835 1.00 0.00 N ATOM 1144 CA LYS A 77 -1.388 24.810 4.199 1.00 0.00 C ATOM 1145 C LYS A 77 -2.377 24.240 5.211 1.00 0.00 C ATOM 1146 O LYS A 77 -1.981 23.613 6.194 1.00 0.00 O ATOM 1147 CB LYS A 77 -1.260 26.323 4.391 1.00 0.00 C ATOM 1148 CG LYS A 77 -0.252 26.971 3.458 1.00 0.00 C ATOM 1149 CD LYS A 77 -0.435 28.479 3.400 1.00 0.00 C ATOM 1150 CE LYS A 77 0.788 29.167 2.814 1.00 0.00 C ATOM 1151 NZ LYS A 77 0.768 30.635 3.058 1.00 0.00 N ATOM 0 H LYS A 77 -1.841 25.316 2.215 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.416 24.346 4.366 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.235 26.784 4.236 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.972 26.527 5.422 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.758 26.739 3.795 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.359 26.552 2.458 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.311 28.717 2.797 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.624 28.862 4.403 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.690 28.738 3.251 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.832 28.978 1.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.618 31.067 2.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.080 31.048 2.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.752 30.817 4.082 1.00 0.00 H new ATOM 1165 N TRP A 78 -3.664 24.462 4.964 1.00 0.00 N ATOM 1166 CA TRP A 78 -4.708 23.968 5.854 1.00 0.00 C ATOM 1167 C TRP A 78 -4.512 22.486 6.156 1.00 0.00 C ATOM 1168 O TRP A 78 -4.403 22.090 7.316 1.00 0.00 O ATOM 1169 CB TRP A 78 -6.086 24.196 5.231 1.00 0.00 C ATOM 1170 CG TRP A 78 -7.216 23.951 6.185 1.00 0.00 C ATOM 1171 CD1 TRP A 78 -7.852 24.880 6.958 1.00 0.00 C ATOM 1172 CD2 TRP A 78 -7.842 22.695 6.467 1.00 0.00 C ATOM 1173 NE1 TRP A 78 -8.836 24.277 7.704 1.00 0.00 N ATOM 1174 CE2 TRP A 78 -8.851 22.937 7.420 1.00 0.00 C ATOM 1175 CE3 TRP A 78 -7.651 21.389 6.006 1.00 0.00 C ATOM 1176 CZ2 TRP A 78 -9.663 21.921 7.919 1.00 0.00 C ATOM 1177 CZ3 TRP A 78 -8.457 20.382 6.503 1.00 0.00 C ATOM 1178 CH2 TRP A 78 -9.453 20.653 7.451 1.00 0.00 C ATOM 0 H TRP A 78 -4.008 24.980 4.156 1.00 0.00 H new ATOM 0 HA TRP A 78 -4.643 24.521 6.791 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -6.146 25.220 4.863 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -6.200 23.540 4.368 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -7.616 25.934 6.980 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -9.455 24.750 8.362 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -6.887 21.171 5.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -10.431 22.127 8.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -8.317 19.369 6.155 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -10.067 19.844 7.819 1.00 0.00 H new ATOM 1189 N ILE A 79 -4.467 21.674 5.105 1.00 0.00 N ATOM 1190 CA ILE A 79 -4.282 20.236 5.260 1.00 0.00 C ATOM 1191 C ILE A 79 -3.184 19.929 6.271 1.00 0.00 C ATOM 1192 O ILE A 79 -3.409 19.216 7.251 1.00 0.00 O ATOM 1193 CB ILE A 79 -3.930 19.567 3.918 1.00 0.00 C ATOM 1194 CG1 ILE A 79 -5.093 19.706 2.933 1.00 0.00 C ATOM 1195 CG2 ILE A 79 -3.583 18.102 4.132 1.00 0.00 C ATOM 1196 CD1 ILE A 79 -4.765 19.221 1.538 1.00 0.00 C ATOM 0 H ILE A 79 -4.556 21.987 4.138 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.228 19.833 5.621 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.059 20.069 3.496 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.948 19.146 3.312 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.394 20.753 2.884 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.337 17.643 3.175 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.727 18.025 4.802 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.436 17.587 4.573 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.635 19.350 0.894 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.930 19.797 1.139 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.493 18.166 1.574 1.00 0.00 H new ATOM 1208 N LEU A 80 -1.996 20.472 6.030 1.00 0.00 N ATOM 1209 CA LEU A 80 -0.861 20.257 6.922 1.00 0.00 C ATOM 1210 C LEU A 80 -1.186 20.721 8.338 1.00 0.00 C ATOM 1211 O LEU A 80 -0.765 20.103 9.315 1.00 0.00 O ATOM 1212 CB LEU A 80 0.371 21.000 6.400 1.00 0.00 C ATOM 1213 CG LEU A 80 1.169 20.288 5.307 1.00 0.00 C ATOM 1214 CD1 LEU A 80 2.173 21.240 4.675 1.00 0.00 C ATOM 1215 CD2 LEU A 80 1.875 19.065 5.873 1.00 0.00 C ATOM 0 H LEU A 80 -1.793 21.064 5.225 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.649 19.188 6.949 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.051 21.969 6.016 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.037 21.194 7.241 1.00 0.00 H new ATOM 0 HG LEU A 80 0.476 19.957 4.534 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.732 20.717 3.899 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.645 22.085 4.234 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.862 21.601 5.438 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.438 18.571 5.081 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.557 19.373 6.665 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.136 18.374 6.279 1.00 0.00 H new ATOM 1227 N GLU A 81 -1.939 21.811 8.439 1.00 0.00 N ATOM 1228 CA GLU A 81 -2.322 22.357 9.737 1.00 0.00 C ATOM 1229 C GLU A 81 -3.185 21.364 10.512 1.00 0.00 C ATOM 1230 O GLU A 81 -2.885 21.028 11.657 1.00 0.00 O ATOM 1231 CB GLU A 81 -3.079 23.675 9.558 1.00 0.00 C ATOM 1232 CG GLU A 81 -2.188 24.903 9.635 1.00 0.00 C ATOM 1233 CD GLU A 81 -2.979 26.195 9.703 1.00 0.00 C ATOM 1234 OE1 GLU A 81 -3.918 26.357 8.896 1.00 0.00 O ATOM 1235 OE2 GLU A 81 -2.660 27.042 10.563 1.00 0.00 O ATOM 0 H GLU A 81 -2.296 22.334 7.639 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.412 22.543 10.307 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.587 23.665 8.594 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.851 23.748 10.324 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.547 24.827 10.513 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.534 24.928 8.764 1.00 0.00 H new ATOM 1242 N ASN A 82 -4.257 20.899 9.878 1.00 0.00 N ATOM 1243 CA ASN A 82 -5.163 19.946 10.506 1.00 0.00 C ATOM 1244 C ASN A 82 -4.901 18.531 10.000 1.00 0.00 C ATOM 1245 O ASN A 82 -5.825 17.730 9.856 1.00 0.00 O ATOM 1246 CB ASN A 82 -6.616 20.337 10.233 1.00 0.00 C ATOM 1247 CG ASN A 82 -6.978 21.680 10.837 1.00 0.00 C ATOM 1248 OD1 ASN A 82 -7.929 21.791 11.610 1.00 0.00 O ATOM 1249 ND2 ASN A 82 -6.217 22.711 10.485 1.00 0.00 N ATOM 0 H ASN A 82 -4.519 21.167 8.929 1.00 0.00 H new ATOM 0 HA ASN A 82 -4.984 19.966 11.581 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -6.784 20.369 9.157 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -7.277 19.570 10.637 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -6.412 23.640 10.859 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -5.438 22.574 9.841 1.00 0.00 H new ATOM 1256 N LYS A 83 -3.635 18.229 9.733 1.00 0.00 N ATOM 1257 CA LYS A 83 -3.249 16.910 9.244 1.00 0.00 C ATOM 1258 C LYS A 83 -3.235 15.892 10.381 1.00 0.00 C ATOM 1259 O LYS A 83 -3.800 14.805 10.260 1.00 0.00 O ATOM 1260 CB LYS A 83 -1.870 16.972 8.583 1.00 0.00 C ATOM 1261 CG LYS A 83 -0.729 17.131 9.572 1.00 0.00 C ATOM 1262 CD LYS A 83 0.599 17.339 8.863 1.00 0.00 C ATOM 1263 CE LYS A 83 1.738 17.528 9.854 1.00 0.00 C ATOM 1264 NZ LYS A 83 3.050 17.679 9.167 1.00 0.00 N ATOM 0 H LYS A 83 -2.858 18.880 9.847 1.00 0.00 H new ATOM 0 HA LYS A 83 -3.985 16.593 8.505 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -1.713 16.063 8.003 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -1.850 17.805 7.881 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.930 17.979 10.227 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.670 16.246 10.206 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.810 16.481 8.225 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.533 18.211 8.213 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.545 18.409 10.466 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.778 16.673 10.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.810 17.720 9.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.208 16.866 8.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.050 18.556 8.608 1.00 0.00 H new ATOM 1278 N ALA A 84 -2.588 16.253 11.484 1.00 0.00 N ATOM 1279 CA ALA A 84 -2.504 15.372 12.642 1.00 0.00 C ATOM 1280 C ALA A 84 -3.847 14.705 12.924 1.00 0.00 C ATOM 1281 O ALA A 84 -3.902 13.611 13.483 1.00 0.00 O ATOM 1282 CB ALA A 84 -2.033 16.149 13.863 1.00 0.00 C ATOM 0 H ALA A 84 -2.115 17.149 11.600 1.00 0.00 H new ATOM 0 HA ALA A 84 -1.779 14.589 12.420 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -1.975 15.479 14.721 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.048 16.573 13.667 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.738 16.952 14.077 1.00 0.00 H new ATOM 1288 N GLY A 85 -4.928 15.374 12.533 1.00 0.00 N ATOM 1289 CA GLY A 85 -6.255 14.830 12.753 1.00 0.00 C ATOM 1290 C GLY A 85 -6.720 13.953 11.607 1.00 0.00 C ATOM 1291 O GLY A 85 -7.458 12.989 11.814 1.00 0.00 O ATOM 0 H GLY A 85 -4.908 16.282 12.068 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.258 14.249 13.675 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.962 15.649 12.890 1.00 0.00 H new ATOM 1295 N ILE A 86 -6.288 14.286 10.396 1.00 0.00 N ATOM 1296 CA ILE A 86 -6.665 13.521 9.214 1.00 0.00 C ATOM 1297 C ILE A 86 -6.484 12.025 9.446 1.00 0.00 C ATOM 1298 O ILE A 86 -5.385 11.563 9.756 1.00 0.00 O ATOM 1299 CB ILE A 86 -5.838 13.942 7.984 1.00 0.00 C ATOM 1300 CG1 ILE A 86 -6.397 15.234 7.384 1.00 0.00 C ATOM 1301 CG2 ILE A 86 -5.830 12.830 6.945 1.00 0.00 C ATOM 1302 CD1 ILE A 86 -5.577 15.770 6.232 1.00 0.00 C ATOM 0 H ILE A 86 -5.677 15.080 10.207 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.717 13.732 9.024 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.811 14.125 8.301 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.416 15.055 7.041 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.452 15.993 8.164 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.242 13.142 6.082 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.391 11.931 7.377 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.852 12.619 6.630 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -6.032 16.687 5.857 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.564 15.982 6.574 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.543 15.029 5.434 1.00 0.00 H new ATOM 1314 N SER A 87 -7.568 11.273 9.293 1.00 0.00 N ATOM 1315 CA SER A 87 -7.530 9.828 9.489 1.00 0.00 C ATOM 1316 C SER A 87 -7.888 9.095 8.198 1.00 0.00 C ATOM 1317 O SER A 87 -8.460 9.679 7.278 1.00 0.00 O ATOM 1318 CB SER A 87 -8.491 9.418 10.605 1.00 0.00 C ATOM 1319 OG SER A 87 -9.777 9.122 10.087 1.00 0.00 O ATOM 0 H SER A 87 -8.484 11.640 9.034 1.00 0.00 H new ATOM 0 HA SER A 87 -6.515 9.551 9.774 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.096 8.546 11.127 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.567 10.221 11.338 1.00 0.00 H new ATOM 0 HG SER A 87 -10.373 8.861 10.820 1.00 0.00 H new ATOM 1325 N PHE A 88 -7.547 7.813 8.139 1.00 0.00 N ATOM 1326 CA PHE A 88 -7.831 6.999 6.964 1.00 0.00 C ATOM 1327 C PHE A 88 -8.493 5.682 7.359 1.00 0.00 C ATOM 1328 O PHE A 88 -7.946 4.915 8.153 1.00 0.00 O ATOM 1329 CB PHE A 88 -6.543 6.723 6.185 1.00 0.00 C ATOM 1330 CG PHE A 88 -6.252 7.745 5.124 1.00 0.00 C ATOM 1331 CD1 PHE A 88 -6.039 9.071 5.462 1.00 0.00 C ATOM 1332 CD2 PHE A 88 -6.193 7.379 3.789 1.00 0.00 C ATOM 1333 CE1 PHE A 88 -5.771 10.015 4.488 1.00 0.00 C ATOM 1334 CE2 PHE A 88 -5.923 8.318 2.811 1.00 0.00 C ATOM 1335 CZ PHE A 88 -5.714 9.637 3.161 1.00 0.00 C ATOM 0 H PHE A 88 -7.073 7.315 8.892 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.521 7.554 6.328 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -5.707 6.688 6.883 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -6.613 5.739 5.721 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -6.083 9.371 6.499 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -6.360 6.349 3.509 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -5.607 11.046 4.764 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -5.876 8.020 1.774 1.00 0.00 H new ATOM 0 HZ PHE A 88 -5.506 10.372 2.398 1.00 0.00 H new ATOM 1345 N ILE A 89 -9.671 5.427 6.802 1.00 0.00 N ATOM 1346 CA ILE A 89 -10.406 4.204 7.095 1.00 0.00 C ATOM 1347 C ILE A 89 -10.437 3.276 5.885 1.00 0.00 C ATOM 1348 O ILE A 89 -11.084 3.571 4.880 1.00 0.00 O ATOM 1349 CB ILE A 89 -11.852 4.507 7.530 1.00 0.00 C ATOM 1350 CG1 ILE A 89 -11.865 5.577 8.624 1.00 0.00 C ATOM 1351 CG2 ILE A 89 -12.537 3.238 8.016 1.00 0.00 C ATOM 1352 CD1 ILE A 89 -11.993 6.986 8.089 1.00 0.00 C ATOM 0 H ILE A 89 -10.137 6.052 6.144 1.00 0.00 H new ATOM 0 HA ILE A 89 -9.883 3.711 7.915 1.00 0.00 H new ATOM 0 HB ILE A 89 -12.402 4.887 6.669 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -12.693 5.379 9.305 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -10.947 5.500 9.207 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.558 3.469 8.320 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -12.555 2.503 7.211 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -11.989 2.831 8.866 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -11.995 7.692 8.920 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -11.152 7.203 7.431 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -12.924 7.080 7.530 1.00 0.00 H new ATOM 1364 N ILE A 90 -9.732 2.154 5.990 1.00 0.00 N ATOM 1365 CA ILE A 90 -9.680 1.181 4.906 1.00 0.00 C ATOM 1366 C ILE A 90 -10.901 0.269 4.927 1.00 0.00 C ATOM 1367 O ILE A 90 -11.077 -0.529 5.848 1.00 0.00 O ATOM 1368 CB ILE A 90 -8.406 0.319 4.983 1.00 0.00 C ATOM 1369 CG1 ILE A 90 -7.437 0.698 3.861 1.00 0.00 C ATOM 1370 CG2 ILE A 90 -8.761 -1.159 4.907 1.00 0.00 C ATOM 1371 CD1 ILE A 90 -6.450 1.774 4.254 1.00 0.00 C ATOM 0 H ILE A 90 -9.189 1.897 6.814 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.669 1.747 3.974 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.916 0.507 5.938 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.888 -0.191 3.550 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -8.009 1.038 2.998 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.850 -1.755 4.963 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.416 -1.419 5.738 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -9.271 -1.363 3.965 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.795 1.992 3.411 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.990 2.677 4.537 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.853 1.429 5.098 1.00 0.00 H new ATOM 1383 N LYS A 91 -11.741 0.389 3.905 1.00 0.00 N ATOM 1384 CA LYS A 91 -12.945 -0.427 3.803 1.00 0.00 C ATOM 1385 C LYS A 91 -12.682 -1.685 2.980 1.00 0.00 C ATOM 1386 O LYS A 91 -13.272 -2.736 3.231 1.00 0.00 O ATOM 1387 CB LYS A 91 -14.081 0.380 3.170 1.00 0.00 C ATOM 1388 CG LYS A 91 -14.189 1.798 3.703 1.00 0.00 C ATOM 1389 CD LYS A 91 -15.112 1.872 4.908 1.00 0.00 C ATOM 1390 CE LYS A 91 -15.800 3.225 5.002 1.00 0.00 C ATOM 1391 NZ LYS A 91 -17.131 3.218 4.332 1.00 0.00 N ATOM 0 H LYS A 91 -11.610 1.044 3.134 1.00 0.00 H new ATOM 0 HA LYS A 91 -13.237 -0.726 4.810 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -13.932 0.417 2.091 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -15.024 -0.138 3.344 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -13.199 2.160 3.979 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -14.561 2.456 2.917 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -15.863 1.085 4.841 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -14.540 1.690 5.818 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -15.922 3.498 6.050 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -15.168 3.987 4.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -17.568 4.158 4.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -17.012 2.982 3.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -17.743 2.509 4.784 1.00 0.00 H new ATOM 1405 N ARG A 92 -11.793 -1.569 2.000 1.00 0.00 N ATOM 1406 CA ARG A 92 -11.452 -2.697 1.141 1.00 0.00 C ATOM 1407 C ARG A 92 -10.394 -2.300 0.116 1.00 0.00 C ATOM 1408 O ARG A 92 -10.535 -1.314 -0.608 1.00 0.00 O ATOM 1409 CB ARG A 92 -12.701 -3.218 0.426 1.00 0.00 C ATOM 1410 CG ARG A 92 -12.393 -4.106 -0.769 1.00 0.00 C ATOM 1411 CD ARG A 92 -11.995 -3.285 -1.985 1.00 0.00 C ATOM 1412 NE ARG A 92 -12.416 -3.916 -3.233 1.00 0.00 N ATOM 1413 CZ ARG A 92 -12.466 -3.281 -4.398 1.00 0.00 C ATOM 1414 NH1 ARG A 92 -12.124 -2.002 -4.474 1.00 0.00 N ATOM 1415 NH2 ARG A 92 -12.859 -3.924 -5.489 1.00 0.00 N ATOM 0 H ARG A 92 -11.296 -0.706 1.781 1.00 0.00 H new ATOM 0 HA ARG A 92 -11.045 -3.489 1.769 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -13.309 -3.778 1.137 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -13.299 -2.370 0.093 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.587 -4.795 -0.514 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -13.267 -4.712 -1.008 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -12.439 -2.292 -1.913 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.913 -3.151 -1.994 1.00 0.00 H new ATOM 0 HE ARG A 92 -12.687 -4.899 -3.208 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -11.822 -1.504 -3.637 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -12.163 -1.516 -5.370 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -13.123 -4.908 -5.434 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -12.897 -3.435 -6.383 1.00 0.00 H new ATOM 1429 N PRO A 93 -9.308 -3.085 0.051 1.00 0.00 N ATOM 1430 CA PRO A 93 -8.205 -2.834 -0.881 1.00 0.00 C ATOM 1431 C PRO A 93 -8.601 -3.097 -2.331 1.00 0.00 C ATOM 1432 O PRO A 93 -9.055 -4.188 -2.673 1.00 0.00 O ATOM 1433 CB PRO A 93 -7.130 -3.827 -0.433 1.00 0.00 C ATOM 1434 CG PRO A 93 -7.882 -4.926 0.234 1.00 0.00 C ATOM 1435 CD PRO A 93 -9.073 -4.277 0.884 1.00 0.00 C ATOM 0 HA PRO A 93 -7.880 -1.794 -0.858 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.556 -4.199 -1.282 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.421 -3.361 0.251 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -8.194 -5.680 -0.489 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.261 -5.431 0.974 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.938 -4.940 0.890 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.869 -4.009 1.921 1.00 0.00 H new