USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 712 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 CYS SG : rot 87:sc= 0.175 USER MOD Set 1.2: A 85 CYS SG : rot 113:sc= 0.629 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot -43:sc= -0.158 USER MOD Single : A 47 THR OG1 : rot -12:sc= 0.0238 USER MOD Single : A 48 LYS NZ :NH3+ -154:sc= -0.141 (180deg=-0.555) USER MOD Single : A 56 SER OG : rot 180:sc= -0.0683 USER MOD Single : A 62 GLN : amide:sc= -0.358 X(o=-0.36,f=-0.59) USER MOD Single : A 63 LYS NZ :NH3+ -162:sc= -0.0216 (180deg=-0.241) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -1.24 K(o=-1.2,f=-5.8!) USER MOD Single : A 80 SER OG : rot -65:sc= 1.24 USER MOD Single : A 83 TYR OH : rot 180:sc= -0.0079 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 130 N TRP A 13 11.212 -14.151 -4.201 1.00 0.00 N ATOM 131 CA TRP A 13 11.357 -12.794 -4.716 1.00 0.00 C ATOM 132 C TRP A 13 11.206 -11.769 -3.597 1.00 0.00 C ATOM 133 O TRP A 13 12.098 -10.951 -3.368 1.00 0.00 O ATOM 134 CB TRP A 13 10.323 -12.528 -5.810 1.00 0.00 C ATOM 135 CG TRP A 13 10.726 -13.063 -7.151 1.00 0.00 C ATOM 136 CD1 TRP A 13 10.143 -14.094 -7.831 1.00 0.00 C ATOM 137 CD2 TRP A 13 11.800 -12.594 -7.973 1.00 0.00 C ATOM 138 NE1 TRP A 13 10.791 -14.295 -9.026 1.00 0.00 N ATOM 139 CE2 TRP A 13 11.811 -13.387 -9.137 1.00 0.00 C ATOM 140 CE3 TRP A 13 12.753 -11.581 -7.840 1.00 0.00 C ATOM 141 CZ2 TRP A 13 12.738 -13.197 -10.158 1.00 0.00 C ATOM 142 CZ3 TRP A 13 13.673 -11.394 -8.854 1.00 0.00 C ATOM 143 CH2 TRP A 13 13.660 -12.198 -10.001 1.00 0.00 C ATOM 0 HA TRP A 13 12.357 -12.698 -5.140 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.373 -12.976 -5.519 1.00 0.00 H new ATOM 0 HB3 TRP A 13 10.158 -11.454 -5.890 1.00 0.00 H new ATOM 0 HD1 TRP A 13 9.297 -14.667 -7.481 1.00 0.00 H new ATOM 0 HE1 TRP A 13 10.551 -15.005 -9.718 1.00 0.00 H new ATOM 0 HE3 TRP A 13 12.770 -10.955 -6.960 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 12.730 -13.816 -11.043 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 14.415 -10.615 -8.761 1.00 0.00 H new ATOM 0 HH2 TRP A 13 14.392 -12.026 -10.776 1.00 0.00 H new ATOM 154 N ILE A 14 10.074 -11.818 -2.903 1.00 0.00 N ATOM 155 CA ILE A 14 9.809 -10.894 -1.808 1.00 0.00 C ATOM 156 C ILE A 14 10.764 -11.134 -0.643 1.00 0.00 C ATOM 157 O ILE A 14 10.512 -11.980 0.216 1.00 0.00 O ATOM 158 CB ILE A 14 8.360 -11.020 -1.303 1.00 0.00 C ATOM 159 CG1 ILE A 14 7.377 -10.887 -2.469 1.00 0.00 C ATOM 160 CG2 ILE A 14 8.075 -9.968 -0.241 1.00 0.00 C ATOM 161 CD1 ILE A 14 6.095 -11.665 -2.270 1.00 0.00 C ATOM 0 H ILE A 14 9.326 -12.488 -3.080 1.00 0.00 H new ATOM 0 HA ILE A 14 9.962 -9.888 -2.200 1.00 0.00 H new ATOM 0 HB ILE A 14 8.232 -12.005 -0.854 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.135 -9.834 -2.611 1.00 0.00 H new ATOM 0 HG13 ILE A 14 7.862 -11.229 -3.383 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.047 -10.070 0.106 1.00 0.00 H new ATOM 0 HG22 ILE A 14 8.756 -10.105 0.599 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.217 -8.974 -0.666 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.446 -11.525 -3.135 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.326 -12.724 -2.158 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.588 -11.307 -1.374 1.00 0.00 H new ATOM 173 N VAL A 15 11.860 -10.382 -0.619 1.00 0.00 N ATOM 174 CA VAL A 15 12.851 -10.511 0.443 1.00 0.00 C ATOM 175 C VAL A 15 12.311 -9.983 1.767 1.00 0.00 C ATOM 176 O VAL A 15 12.643 -10.498 2.835 1.00 0.00 O ATOM 177 CB VAL A 15 14.148 -9.757 0.093 1.00 0.00 C ATOM 178 CG1 VAL A 15 13.889 -8.261 0.002 1.00 0.00 C ATOM 179 CG2 VAL A 15 15.231 -10.057 1.118 1.00 0.00 C ATOM 0 H VAL A 15 12.084 -9.678 -1.322 1.00 0.00 H new ATOM 0 HA VAL A 15 13.072 -11.574 0.543 1.00 0.00 H new ATOM 0 HB VAL A 15 14.496 -10.101 -0.881 1.00 0.00 H new ATOM 0 HG11 VAL A 15 14.817 -7.746 -0.246 1.00 0.00 H new ATOM 0 HG12 VAL A 15 13.148 -8.067 -0.773 1.00 0.00 H new ATOM 0 HG13 VAL A 15 13.517 -7.897 0.960 1.00 0.00 H new ATOM 0 HG21 VAL A 15 16.140 -9.516 0.855 1.00 0.00 H new ATOM 0 HG22 VAL A 15 14.894 -9.742 2.106 1.00 0.00 H new ATOM 0 HG23 VAL A 15 15.436 -11.128 1.128 1.00 0.00 H new ATOM 189 N TYR A 16 11.475 -8.953 1.690 1.00 0.00 N ATOM 190 CA TYR A 16 10.889 -8.353 2.883 1.00 0.00 C ATOM 191 C TYR A 16 9.591 -7.626 2.545 1.00 0.00 C ATOM 192 O TYR A 16 9.435 -7.048 1.469 1.00 0.00 O ATOM 193 CB TYR A 16 11.878 -7.382 3.529 1.00 0.00 C ATOM 194 CG TYR A 16 11.223 -6.367 4.438 1.00 0.00 C ATOM 195 CD1 TYR A 16 10.392 -5.379 3.924 1.00 0.00 C ATOM 196 CD2 TYR A 16 11.437 -6.394 5.811 1.00 0.00 C ATOM 197 CE1 TYR A 16 9.792 -4.449 4.751 1.00 0.00 C ATOM 198 CE2 TYR A 16 10.840 -5.469 6.645 1.00 0.00 C ATOM 199 CZ TYR A 16 10.018 -4.499 6.111 1.00 0.00 C ATOM 200 OH TYR A 16 9.423 -3.574 6.938 1.00 0.00 O ATOM 0 H TYR A 16 11.188 -8.516 0.814 1.00 0.00 H new ATOM 0 HA TYR A 16 10.663 -9.153 3.588 1.00 0.00 H new ATOM 0 HB2 TYR A 16 12.611 -7.950 4.101 1.00 0.00 H new ATOM 0 HB3 TYR A 16 12.423 -6.857 2.745 1.00 0.00 H new ATOM 0 HD1 TYR A 16 10.212 -5.337 2.860 1.00 0.00 H new ATOM 0 HD2 TYR A 16 12.081 -7.151 6.233 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.150 -3.687 4.335 1.00 0.00 H new ATOM 0 HE2 TYR A 16 11.016 -5.505 7.710 1.00 0.00 H new ATOM 0 HH TYR A 16 9.684 -3.749 7.866 1.00 0.00 H new ATOM 210 N PRO A 17 8.637 -7.653 3.487 1.00 0.00 N ATOM 211 CA PRO A 17 8.812 -8.338 4.771 1.00 0.00 C ATOM 212 C PRO A 17 8.843 -9.855 4.620 1.00 0.00 C ATOM 213 O PRO A 17 8.575 -10.387 3.542 1.00 0.00 O ATOM 214 CB PRO A 17 7.582 -7.906 5.574 1.00 0.00 C ATOM 215 CG PRO A 17 6.556 -7.573 4.546 1.00 0.00 C ATOM 216 CD PRO A 17 7.313 -7.018 3.371 1.00 0.00 C ATOM 0 HA PRO A 17 9.760 -8.080 5.244 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.239 -8.704 6.232 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.804 -7.046 6.205 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.987 -8.458 4.261 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.841 -6.845 4.929 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.829 -7.268 2.427 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.383 -5.931 3.415 1.00 0.00 H new ATOM 224 N SER A 18 9.171 -10.547 5.706 1.00 0.00 N ATOM 225 CA SER A 18 9.240 -12.004 5.692 1.00 0.00 C ATOM 226 C SER A 18 8.027 -12.612 6.389 1.00 0.00 C ATOM 227 O SER A 18 8.155 -13.276 7.417 1.00 0.00 O ATOM 228 CB SER A 18 10.525 -12.481 6.372 1.00 0.00 C ATOM 229 OG SER A 18 10.835 -13.812 6.000 1.00 0.00 O ATOM 0 H SER A 18 9.393 -10.123 6.607 1.00 0.00 H new ATOM 0 HA SER A 18 9.243 -12.333 4.653 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.350 -11.823 6.100 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.412 -12.420 7.454 1.00 0.00 H new ATOM 0 HG SER A 18 11.661 -14.093 6.447 1.00 0.00 H new ATOM 235 N GLY A 19 6.847 -12.379 5.821 1.00 0.00 N ATOM 236 CA GLY A 19 5.627 -12.910 6.400 1.00 0.00 C ATOM 237 C GLY A 19 4.472 -11.932 6.317 1.00 0.00 C ATOM 238 O GLY A 19 4.415 -11.103 5.408 1.00 0.00 O ATOM 0 H GLY A 19 6.715 -11.832 4.970 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.356 -13.832 5.886 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.806 -13.168 7.444 1.00 0.00 H new ATOM 242 N LYS A 20 3.548 -12.028 7.267 1.00 0.00 N ATOM 243 CA LYS A 20 2.388 -11.145 7.298 1.00 0.00 C ATOM 244 C LYS A 20 2.686 -9.883 8.102 1.00 0.00 C ATOM 245 O LYS A 20 3.427 -9.922 9.084 1.00 0.00 O ATOM 246 CB LYS A 20 1.184 -11.873 7.899 1.00 0.00 C ATOM 247 CG LYS A 20 0.508 -12.831 6.933 1.00 0.00 C ATOM 248 CD LYS A 20 -0.978 -12.960 7.224 1.00 0.00 C ATOM 249 CE LYS A 20 -1.256 -14.067 8.228 1.00 0.00 C ATOM 250 NZ LYS A 20 -1.222 -13.566 9.630 1.00 0.00 N ATOM 0 H LYS A 20 3.580 -12.709 8.026 1.00 0.00 H new ATOM 0 HA LYS A 20 2.155 -10.855 6.273 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.508 -12.427 8.780 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.455 -11.136 8.236 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.650 -12.479 5.911 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.980 -13.811 7.002 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.358 -12.014 7.610 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.515 -13.165 6.298 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.232 -14.506 8.023 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.518 -14.860 8.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.416 -14.351 10.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.282 -13.170 9.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.944 -12.827 9.752 1.00 0.00 H new ATOM 264 N VAL A 21 2.103 -8.766 7.679 1.00 0.00 N ATOM 265 CA VAL A 21 2.305 -7.493 8.361 1.00 0.00 C ATOM 266 C VAL A 21 0.982 -6.762 8.561 1.00 0.00 C ATOM 267 O VAL A 21 0.126 -6.752 7.675 1.00 0.00 O ATOM 268 CB VAL A 21 3.269 -6.583 7.578 1.00 0.00 C ATOM 269 CG1 VAL A 21 3.339 -5.204 8.216 1.00 0.00 C ATOM 270 CG2 VAL A 21 4.651 -7.214 7.499 1.00 0.00 C ATOM 0 H VAL A 21 1.487 -8.717 6.867 1.00 0.00 H new ATOM 0 HA VAL A 21 2.742 -7.720 9.333 1.00 0.00 H new ATOM 0 HB VAL A 21 2.889 -6.468 6.563 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.025 -4.575 7.649 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.347 -4.752 8.215 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.695 -5.296 9.242 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.319 -6.557 6.942 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.042 -7.361 8.506 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.583 -8.177 6.992 1.00 0.00 H new ATOM 280 N TYR A 22 0.821 -6.150 9.729 1.00 0.00 N ATOM 281 CA TYR A 22 -0.398 -5.416 10.046 1.00 0.00 C ATOM 282 C TYR A 22 -0.147 -3.912 10.040 1.00 0.00 C ATOM 283 O TYR A 22 0.884 -3.441 10.522 1.00 0.00 O ATOM 284 CB TYR A 22 -0.938 -5.849 11.410 1.00 0.00 C ATOM 285 CG TYR A 22 -1.680 -7.167 11.378 1.00 0.00 C ATOM 286 CD1 TYR A 22 -1.119 -8.287 10.777 1.00 0.00 C ATOM 287 CD2 TYR A 22 -2.940 -7.291 11.949 1.00 0.00 C ATOM 288 CE1 TYR A 22 -1.793 -9.493 10.744 1.00 0.00 C ATOM 289 CE2 TYR A 22 -3.621 -8.493 11.922 1.00 0.00 C ATOM 290 CZ TYR A 22 -3.044 -9.591 11.318 1.00 0.00 C ATOM 291 OH TYR A 22 -3.718 -10.790 11.289 1.00 0.00 O ATOM 0 H TYR A 22 1.520 -6.148 10.472 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.139 -5.644 9.280 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.108 -5.926 12.112 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.605 -5.075 11.789 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.140 -8.214 10.328 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.395 -6.433 12.422 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.343 -10.354 10.272 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -4.600 -8.573 12.371 1.00 0.00 H new ATOM 0 HH TYR A 22 -4.584 -10.690 11.737 1.00 0.00 H new ATOM 301 N VAL A 23 -1.097 -3.161 9.492 1.00 0.00 N ATOM 302 CA VAL A 23 -0.981 -1.710 9.424 1.00 0.00 C ATOM 303 C VAL A 23 -2.328 -1.039 9.664 1.00 0.00 C ATOM 304 O VAL A 23 -3.334 -1.410 9.061 1.00 0.00 O ATOM 305 CB VAL A 23 -0.428 -1.254 8.061 1.00 0.00 C ATOM 306 CG1 VAL A 23 -0.255 0.257 8.032 1.00 0.00 C ATOM 307 CG2 VAL A 23 0.887 -1.955 7.758 1.00 0.00 C ATOM 0 H VAL A 23 -1.956 -3.534 9.088 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.285 -1.411 10.208 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.146 -1.528 7.288 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.137 0.560 7.061 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.219 0.737 8.200 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.442 0.559 8.814 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.263 -1.621 6.791 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.615 -1.715 8.533 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.727 -3.033 7.732 1.00 0.00 H new ATOM 317 N ALA A 24 -2.341 -0.047 10.549 1.00 0.00 N ATOM 318 CA ALA A 24 -3.564 0.678 10.867 1.00 0.00 C ATOM 319 C ALA A 24 -3.576 2.052 10.206 1.00 0.00 C ATOM 320 O ALA A 24 -2.560 2.745 10.177 1.00 0.00 O ATOM 321 CB ALA A 24 -3.720 0.814 12.375 1.00 0.00 C ATOM 0 H ALA A 24 -1.517 0.273 11.058 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.407 0.108 10.475 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.638 1.358 12.598 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.766 -0.177 12.827 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.868 1.359 12.781 1.00 0.00 H new ATOM 327 N ALA A 25 -4.732 2.438 9.676 1.00 0.00 N ATOM 328 CA ALA A 25 -4.876 3.730 9.016 1.00 0.00 C ATOM 329 C ALA A 25 -6.173 4.417 9.430 1.00 0.00 C ATOM 330 O ALA A 25 -6.969 3.858 10.185 1.00 0.00 O ATOM 331 CB ALA A 25 -4.825 3.559 7.505 1.00 0.00 C ATOM 0 H ALA A 25 -5.582 1.875 9.691 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.045 4.364 9.327 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.934 4.532 7.025 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.869 3.119 7.221 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.635 2.904 7.185 1.00 0.00 H new ATOM 337 N VAL A 26 -6.379 5.632 8.933 1.00 0.00 N ATOM 338 CA VAL A 26 -7.580 6.395 9.251 1.00 0.00 C ATOM 339 C VAL A 26 -8.126 7.101 8.015 1.00 0.00 C ATOM 340 O VAL A 26 -7.406 7.309 7.038 1.00 0.00 O ATOM 341 CB VAL A 26 -7.306 7.441 10.347 1.00 0.00 C ATOM 342 CG1 VAL A 26 -8.583 7.762 11.109 1.00 0.00 C ATOM 343 CG2 VAL A 26 -6.221 6.950 11.293 1.00 0.00 C ATOM 0 H VAL A 26 -5.729 6.109 8.308 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.320 5.683 9.616 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.954 8.357 9.871 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.370 8.503 11.880 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.328 8.159 10.420 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.967 6.854 11.575 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.040 7.702 12.061 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.542 6.021 11.763 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.302 6.775 10.733 1.00 0.00 H new ATOM 353 N ARG A 27 -9.402 7.468 8.064 1.00 0.00 N ATOM 354 CA ARG A 27 -10.045 8.150 6.948 1.00 0.00 C ATOM 355 C ARG A 27 -9.153 9.263 6.405 1.00 0.00 C ATOM 356 O ARG A 27 -8.922 10.271 7.075 1.00 0.00 O ATOM 357 CB ARG A 27 -11.392 8.729 7.384 1.00 0.00 C ATOM 358 CG ARG A 27 -12.405 8.833 6.256 1.00 0.00 C ATOM 359 CD ARG A 27 -13.136 7.517 6.040 1.00 0.00 C ATOM 360 NE ARG A 27 -14.417 7.706 5.364 1.00 0.00 N ATOM 361 CZ ARG A 27 -15.539 8.032 5.995 1.00 0.00 C ATOM 362 NH1 ARG A 27 -15.539 8.204 7.310 1.00 0.00 N ATOM 363 NH2 ARG A 27 -16.665 8.187 5.311 1.00 0.00 N ATOM 0 H ARG A 27 -10.011 7.304 8.865 1.00 0.00 H new ATOM 0 HA ARG A 27 -10.210 7.420 6.155 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -11.806 8.106 8.176 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -11.231 9.720 7.809 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -13.126 9.618 6.485 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -11.898 9.124 5.336 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -12.510 6.848 5.450 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -13.302 7.033 7.002 1.00 0.00 H new ATOM 0 HE ARG A 27 -14.452 7.581 4.352 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -14.675 8.086 7.840 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -16.403 8.454 7.792 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -16.669 8.056 4.299 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -17.526 8.437 5.797 1.00 0.00 H new ATOM 377 N LEU A 28 -8.655 9.074 5.189 1.00 0.00 N ATOM 378 CA LEU A 28 -7.788 10.061 4.555 1.00 0.00 C ATOM 379 C LEU A 28 -6.446 10.149 5.275 1.00 0.00 C ATOM 380 O LEU A 28 -5.939 11.241 5.531 1.00 0.00 O ATOM 381 CB LEU A 28 -8.465 11.432 4.545 1.00 0.00 C ATOM 382 CG LEU A 28 -9.918 11.460 4.069 1.00 0.00 C ATOM 383 CD1 LEU A 28 -10.596 12.751 4.499 1.00 0.00 C ATOM 384 CD2 LEU A 28 -9.987 11.297 2.557 1.00 0.00 C ATOM 0 H LEU A 28 -8.836 8.246 4.622 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.608 9.744 3.528 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.426 11.841 5.555 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.882 12.098 3.909 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.447 10.625 4.529 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.629 12.753 4.151 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.579 12.826 5.586 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.067 13.601 4.068 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.028 11.319 2.236 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.442 12.111 2.078 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.540 10.344 2.273 1.00 0.00 H new ATOM 396 N GLU A 29 -5.875 8.992 5.596 1.00 0.00 N ATOM 397 CA GLU A 29 -4.591 8.940 6.285 1.00 0.00 C ATOM 398 C GLU A 29 -3.458 8.650 5.304 1.00 0.00 C ATOM 399 O GLU A 29 -3.693 8.185 4.188 1.00 0.00 O ATOM 400 CB GLU A 29 -4.618 7.872 7.380 1.00 0.00 C ATOM 401 CG GLU A 29 -3.322 7.774 8.167 1.00 0.00 C ATOM 402 CD GLU A 29 -2.990 9.056 8.906 1.00 0.00 C ATOM 403 OE1 GLU A 29 -3.882 9.593 9.594 1.00 0.00 O ATOM 404 OE2 GLU A 29 -1.836 9.522 8.795 1.00 0.00 O ATOM 0 H GLU A 29 -6.281 8.079 5.390 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.413 9.914 6.741 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.435 8.089 8.068 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.832 6.904 6.927 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.397 6.955 8.883 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.506 7.529 7.487 1.00 0.00 H new ATOM 411 N ARG A 30 -2.230 8.929 5.728 1.00 0.00 N ATOM 412 CA ARG A 30 -1.061 8.700 4.887 1.00 0.00 C ATOM 413 C ARG A 30 -0.266 7.493 5.378 1.00 0.00 C ATOM 414 O ARG A 30 0.462 7.577 6.367 1.00 0.00 O ATOM 415 CB ARG A 30 -0.167 9.941 4.872 1.00 0.00 C ATOM 416 CG ARG A 30 1.000 9.839 3.903 1.00 0.00 C ATOM 417 CD ARG A 30 2.231 9.250 4.574 1.00 0.00 C ATOM 418 NE ARG A 30 3.360 9.149 3.653 1.00 0.00 N ATOM 419 CZ ARG A 30 4.629 9.127 4.046 1.00 0.00 C ATOM 420 NH1 ARG A 30 4.928 9.199 5.336 1.00 0.00 N ATOM 421 NH2 ARG A 30 5.601 9.034 3.148 1.00 0.00 N ATOM 0 H ARG A 30 -2.019 9.314 6.649 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.407 8.497 3.874 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.771 10.810 4.610 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.220 10.112 5.877 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.716 9.219 3.053 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.236 10.828 3.511 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.512 9.870 5.425 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.993 8.261 4.965 1.00 0.00 H new ATOM 0 HE ARG A 30 3.164 9.092 2.654 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.183 9.271 6.029 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.903 9.182 5.635 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.374 8.979 2.155 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.575 9.017 3.451 1.00 0.00 H new ATOM 435 N VAL A 31 -0.412 6.371 4.680 1.00 0.00 N ATOM 436 CA VAL A 31 0.292 5.148 5.043 1.00 0.00 C ATOM 437 C VAL A 31 1.508 4.927 4.151 1.00 0.00 C ATOM 438 O VAL A 31 1.619 5.518 3.076 1.00 0.00 O ATOM 439 CB VAL A 31 -0.631 3.919 4.947 1.00 0.00 C ATOM 440 CG1 VAL A 31 -1.808 4.058 5.900 1.00 0.00 C ATOM 441 CG2 VAL A 31 -1.113 3.726 3.517 1.00 0.00 C ATOM 0 H VAL A 31 -1.012 6.284 3.860 1.00 0.00 H new ATOM 0 HA VAL A 31 0.620 5.267 6.076 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.062 3.036 5.238 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.449 3.180 5.818 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.440 4.144 6.922 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.380 4.950 5.644 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.764 2.853 3.467 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.665 4.609 3.197 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.255 3.577 2.861 1.00 0.00 H new ATOM 451 N VAL A 32 2.420 4.072 4.602 1.00 0.00 N ATOM 452 CA VAL A 32 3.629 3.772 3.844 1.00 0.00 C ATOM 453 C VAL A 32 3.986 2.293 3.943 1.00 0.00 C ATOM 454 O VAL A 32 4.475 1.829 4.974 1.00 0.00 O ATOM 455 CB VAL A 32 4.823 4.611 4.335 1.00 0.00 C ATOM 456 CG1 VAL A 32 6.094 4.210 3.604 1.00 0.00 C ATOM 457 CG2 VAL A 32 4.540 6.095 4.156 1.00 0.00 C ATOM 0 H VAL A 32 2.345 3.574 5.489 1.00 0.00 H new ATOM 0 HA VAL A 32 3.421 4.024 2.804 1.00 0.00 H new ATOM 0 HB VAL A 32 4.968 4.418 5.398 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.927 4.814 3.964 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.303 3.156 3.789 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.965 4.372 2.534 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.394 6.673 4.508 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.368 6.308 3.101 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.655 6.369 4.731 1.00 0.00 H new ATOM 467 N LEU A 33 3.739 1.557 2.865 1.00 0.00 N ATOM 468 CA LEU A 33 4.036 0.129 2.829 1.00 0.00 C ATOM 469 C LEU A 33 5.498 -0.115 2.470 1.00 0.00 C ATOM 470 O LEU A 33 6.033 0.500 1.546 1.00 0.00 O ATOM 471 CB LEU A 33 3.127 -0.575 1.820 1.00 0.00 C ATOM 472 CG LEU A 33 1.807 -1.118 2.371 1.00 0.00 C ATOM 473 CD1 LEU A 33 1.155 -0.100 3.293 1.00 0.00 C ATOM 474 CD2 LEU A 33 0.867 -1.489 1.233 1.00 0.00 C ATOM 0 H LEU A 33 3.334 1.925 2.004 1.00 0.00 H new ATOM 0 HA LEU A 33 3.852 -0.280 3.822 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.901 0.124 1.015 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.681 -1.403 1.378 1.00 0.00 H new ATOM 0 HG LEU A 33 2.019 -2.018 2.949 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.217 -0.503 3.675 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.823 0.117 4.126 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.956 0.818 2.739 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.067 -1.873 1.643 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.661 -0.606 0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.332 -2.254 0.611 1.00 0.00 H new ATOM 486 N THR A 34 6.140 -1.017 3.204 1.00 0.00 N ATOM 487 CA THR A 34 7.540 -1.344 2.963 1.00 0.00 C ATOM 488 C THR A 34 7.683 -2.732 2.350 1.00 0.00 C ATOM 489 O THR A 34 7.391 -3.739 2.995 1.00 0.00 O ATOM 490 CB THR A 34 8.364 -1.282 4.263 1.00 0.00 C ATOM 491 OG1 THR A 34 8.120 -0.043 4.939 1.00 0.00 O ATOM 492 CG2 THR A 34 9.850 -1.422 3.970 1.00 0.00 C ATOM 0 H THR A 34 5.712 -1.535 3.972 1.00 0.00 H new ATOM 0 HA THR A 34 7.922 -0.600 2.264 1.00 0.00 H new ATOM 0 HB THR A 34 8.057 -2.110 4.901 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.646 -0.012 5.765 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.411 -1.375 4.903 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.036 -2.379 3.482 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.169 -0.612 3.314 1.00 0.00 H new ATOM 500 N CYS A 35 8.134 -2.778 1.101 1.00 0.00 N ATOM 501 CA CYS A 35 8.316 -4.044 0.400 1.00 0.00 C ATOM 502 C CYS A 35 9.627 -4.051 -0.379 1.00 0.00 C ATOM 503 O CYS A 35 9.740 -3.416 -1.427 1.00 0.00 O ATOM 504 CB CYS A 35 7.143 -4.299 -0.549 1.00 0.00 C ATOM 505 SG CYS A 35 6.759 -6.048 -0.794 1.00 0.00 S ATOM 0 H CYS A 35 8.380 -1.953 0.553 1.00 0.00 H new ATOM 0 HA CYS A 35 8.352 -4.840 1.143 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.258 -3.795 -0.160 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.367 -3.848 -1.516 1.00 0.00 H new ATOM 0 HG CYS A 35 5.945 -6.448 0.137 1.00 0.00 H new ATOM 511 N GLU A 36 10.615 -4.772 0.141 1.00 0.00 N ATOM 512 CA GLU A 36 11.919 -4.859 -0.505 1.00 0.00 C ATOM 513 C GLU A 36 12.013 -6.108 -1.376 1.00 0.00 C ATOM 514 O GLU A 36 11.237 -7.051 -1.215 1.00 0.00 O ATOM 515 CB GLU A 36 13.033 -4.870 0.544 1.00 0.00 C ATOM 516 CG GLU A 36 14.426 -4.722 -0.046 1.00 0.00 C ATOM 517 CD GLU A 36 15.389 -4.031 0.900 1.00 0.00 C ATOM 518 OE1 GLU A 36 15.512 -4.485 2.057 1.00 0.00 O ATOM 519 OE2 GLU A 36 16.020 -3.037 0.484 1.00 0.00 O ATOM 0 H GLU A 36 10.537 -5.304 1.008 1.00 0.00 H new ATOM 0 HA GLU A 36 12.039 -3.983 -1.143 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.860 -4.061 1.254 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.983 -5.803 1.106 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.816 -5.708 -0.300 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.365 -4.155 -0.975 1.00 0.00 H new ATOM 526 N LEU A 37 12.967 -6.107 -2.301 1.00 0.00 N ATOM 527 CA LEU A 37 13.163 -7.240 -3.199 1.00 0.00 C ATOM 528 C LEU A 37 14.628 -7.662 -3.232 1.00 0.00 C ATOM 529 O LEU A 37 15.514 -6.895 -2.852 1.00 0.00 O ATOM 530 CB LEU A 37 12.691 -6.884 -4.610 1.00 0.00 C ATOM 531 CG LEU A 37 11.298 -6.263 -4.715 1.00 0.00 C ATOM 532 CD1 LEU A 37 11.040 -5.767 -6.130 1.00 0.00 C ATOM 533 CD2 LEU A 37 10.233 -7.266 -4.297 1.00 0.00 C ATOM 0 H LEU A 37 13.617 -5.335 -2.449 1.00 0.00 H new ATOM 0 HA LEU A 37 12.572 -8.076 -2.824 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.410 -6.191 -5.048 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.710 -7.789 -5.217 1.00 0.00 H new ATOM 0 HG LEU A 37 11.250 -5.410 -4.038 1.00 0.00 H new ATOM 0 HD11 LEU A 37 10.044 -5.328 -6.186 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.783 -5.014 -6.393 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.108 -6.603 -6.827 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.248 -6.806 -4.378 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.280 -8.139 -4.947 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.406 -7.572 -3.265 1.00 0.00 H new ATOM 545 N CYS A 38 14.877 -8.884 -3.689 1.00 0.00 N ATOM 546 CA CYS A 38 16.235 -9.408 -3.773 1.00 0.00 C ATOM 547 C CYS A 38 16.904 -8.979 -5.075 1.00 0.00 C ATOM 548 O CYS A 38 17.996 -9.442 -5.406 1.00 0.00 O ATOM 549 CB CYS A 38 16.223 -10.934 -3.670 1.00 0.00 C ATOM 550 SG CYS A 38 17.845 -11.665 -3.350 1.00 0.00 S ATOM 0 H CYS A 38 14.155 -9.531 -4.007 1.00 0.00 H new ATOM 0 HA CYS A 38 16.807 -9.000 -2.940 1.00 0.00 H new ATOM 0 HB2 CYS A 38 15.540 -11.228 -2.873 1.00 0.00 H new ATOM 0 HB3 CYS A 38 15.827 -11.347 -4.598 1.00 0.00 H new ATOM 0 HG CYS A 38 18.737 -11.087 -4.098 1.00 0.00 H new ATOM 556 N ARG A 39 16.241 -8.092 -5.811 1.00 0.00 N ATOM 557 CA ARG A 39 16.770 -7.603 -7.078 1.00 0.00 C ATOM 558 C ARG A 39 16.325 -6.166 -7.334 1.00 0.00 C ATOM 559 O ARG A 39 15.186 -5.785 -7.061 1.00 0.00 O ATOM 560 CB ARG A 39 16.312 -8.503 -8.227 1.00 0.00 C ATOM 561 CG ARG A 39 17.075 -9.814 -8.315 1.00 0.00 C ATOM 562 CD ARG A 39 18.502 -9.598 -8.793 1.00 0.00 C ATOM 563 NE ARG A 39 19.383 -10.694 -8.400 1.00 0.00 N ATOM 564 CZ ARG A 39 20.705 -10.658 -8.531 1.00 0.00 C ATOM 565 NH1 ARG A 39 21.294 -9.586 -9.044 1.00 0.00 N ATOM 566 NH2 ARG A 39 21.439 -11.695 -8.150 1.00 0.00 N ATOM 0 H ARG A 39 15.337 -7.698 -5.551 1.00 0.00 H new ATOM 0 HA ARG A 39 17.858 -7.623 -7.021 1.00 0.00 H new ATOM 0 HB2 ARG A 39 15.250 -8.718 -8.108 1.00 0.00 H new ATOM 0 HB3 ARG A 39 16.425 -7.963 -9.167 1.00 0.00 H new ATOM 0 HG2 ARG A 39 17.087 -10.295 -7.337 1.00 0.00 H new ATOM 0 HG3 ARG A 39 16.560 -10.491 -8.997 1.00 0.00 H new ATOM 0 HD2 ARG A 39 18.509 -9.498 -9.878 1.00 0.00 H new ATOM 0 HD3 ARG A 39 18.883 -8.662 -8.384 1.00 0.00 H new ATOM 0 HE ARG A 39 18.961 -11.533 -8.003 1.00 0.00 H new ATOM 0 HH11 ARG A 39 20.732 -8.787 -9.339 1.00 0.00 H new ATOM 0 HH12 ARG A 39 22.309 -9.560 -9.144 1.00 0.00 H new ATOM 0 HH21 ARG A 39 20.989 -12.521 -7.756 1.00 0.00 H new ATOM 0 HH22 ARG A 39 22.454 -11.666 -8.251 1.00 0.00 H new ATOM 580 N PRO A 40 17.243 -5.349 -7.871 1.00 0.00 N ATOM 581 CA PRO A 40 16.968 -3.941 -8.176 1.00 0.00 C ATOM 582 C PRO A 40 15.999 -3.779 -9.342 1.00 0.00 C ATOM 583 O PRO A 40 15.009 -3.055 -9.242 1.00 0.00 O ATOM 584 CB PRO A 40 18.345 -3.383 -8.544 1.00 0.00 C ATOM 585 CG PRO A 40 19.117 -4.563 -9.022 1.00 0.00 C ATOM 586 CD PRO A 40 18.619 -5.736 -8.223 1.00 0.00 C ATOM 0 HA PRO A 40 16.494 -3.428 -7.339 1.00 0.00 H new ATOM 0 HB2 PRO A 40 18.269 -2.620 -9.319 1.00 0.00 H new ATOM 0 HB3 PRO A 40 18.826 -2.917 -7.684 1.00 0.00 H new ATOM 0 HG2 PRO A 40 18.963 -4.724 -10.089 1.00 0.00 H new ATOM 0 HG3 PRO A 40 20.187 -4.416 -8.873 1.00 0.00 H new ATOM 0 HD2 PRO A 40 18.641 -6.657 -8.805 1.00 0.00 H new ATOM 0 HD3 PRO A 40 19.228 -5.905 -7.335 1.00 0.00 H new ATOM 594 N TRP A 41 16.290 -4.458 -10.446 1.00 0.00 N ATOM 595 CA TRP A 41 15.443 -4.389 -11.631 1.00 0.00 C ATOM 596 C TRP A 41 14.272 -5.360 -11.521 1.00 0.00 C ATOM 597 O TRP A 41 13.743 -5.824 -12.530 1.00 0.00 O ATOM 598 CB TRP A 41 16.261 -4.698 -12.887 1.00 0.00 C ATOM 599 CG TRP A 41 17.335 -5.719 -12.660 1.00 0.00 C ATOM 600 CD1 TRP A 41 18.674 -5.485 -12.532 1.00 0.00 C ATOM 601 CD2 TRP A 41 17.159 -7.134 -12.536 1.00 0.00 C ATOM 602 NE1 TRP A 41 19.342 -6.670 -12.336 1.00 0.00 N ATOM 603 CE2 TRP A 41 18.435 -7.696 -12.333 1.00 0.00 C ATOM 604 CE3 TRP A 41 16.048 -7.981 -12.574 1.00 0.00 C ATOM 605 CZ2 TRP A 41 18.627 -9.066 -12.172 1.00 0.00 C ATOM 606 CZ3 TRP A 41 16.241 -9.340 -12.413 1.00 0.00 C ATOM 607 CH2 TRP A 41 17.522 -9.872 -12.213 1.00 0.00 C ATOM 0 H TRP A 41 17.106 -5.062 -10.545 1.00 0.00 H new ATOM 0 HA TRP A 41 15.046 -3.377 -11.704 1.00 0.00 H new ATOM 0 HB2 TRP A 41 15.591 -5.054 -13.670 1.00 0.00 H new ATOM 0 HB3 TRP A 41 16.716 -3.777 -13.251 1.00 0.00 H new ATOM 0 HD1 TRP A 41 19.140 -4.512 -12.578 1.00 0.00 H new ATOM 0 HE1 TRP A 41 20.350 -6.769 -12.213 1.00 0.00 H new ATOM 0 HE3 TRP A 41 15.057 -7.581 -12.726 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 19.614 -9.478 -12.020 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 15.390 -10.004 -12.442 1.00 0.00 H new ATOM 0 HH2 TRP A 41 17.639 -10.938 -12.089 1.00 0.00 H new ATOM 618 N ALA A 42 13.873 -5.661 -10.290 1.00 0.00 N ATOM 619 CA ALA A 42 12.764 -6.575 -10.049 1.00 0.00 C ATOM 620 C ALA A 42 11.436 -5.826 -10.005 1.00 0.00 C ATOM 621 O ALA A 42 11.173 -5.067 -9.073 1.00 0.00 O ATOM 622 CB ALA A 42 12.983 -7.342 -8.753 1.00 0.00 C ATOM 0 H ALA A 42 14.301 -5.285 -9.444 1.00 0.00 H new ATOM 0 HA ALA A 42 12.724 -7.285 -10.875 1.00 0.00 H new ATOM 0 HB1 ALA A 42 12.147 -8.021 -8.586 1.00 0.00 H new ATOM 0 HB2 ALA A 42 13.908 -7.915 -8.821 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.052 -6.640 -7.922 1.00 0.00 H new ATOM 628 N GLU A 43 10.604 -6.045 -11.018 1.00 0.00 N ATOM 629 CA GLU A 43 9.304 -5.389 -11.094 1.00 0.00 C ATOM 630 C GLU A 43 8.281 -6.105 -10.217 1.00 0.00 C ATOM 631 O GLU A 43 8.292 -7.331 -10.106 1.00 0.00 O ATOM 632 CB GLU A 43 8.812 -5.348 -12.542 1.00 0.00 C ATOM 633 CG GLU A 43 9.231 -4.095 -13.293 1.00 0.00 C ATOM 634 CD GLU A 43 8.666 -2.830 -12.677 1.00 0.00 C ATOM 635 OE1 GLU A 43 7.522 -2.872 -12.179 1.00 0.00 O ATOM 636 OE2 GLU A 43 9.369 -1.798 -12.694 1.00 0.00 O ATOM 0 H GLU A 43 10.807 -6.671 -11.797 1.00 0.00 H new ATOM 0 HA GLU A 43 9.419 -4.369 -10.728 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.192 -6.222 -13.071 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.724 -5.419 -12.549 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.319 -4.032 -13.309 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.901 -4.169 -14.329 1.00 0.00 H new ATOM 643 N VAL A 44 7.397 -5.331 -9.596 1.00 0.00 N ATOM 644 CA VAL A 44 6.366 -5.890 -8.729 1.00 0.00 C ATOM 645 C VAL A 44 4.979 -5.416 -9.148 1.00 0.00 C ATOM 646 O VAL A 44 4.843 -4.442 -9.889 1.00 0.00 O ATOM 647 CB VAL A 44 6.604 -5.509 -7.256 1.00 0.00 C ATOM 648 CG1 VAL A 44 8.022 -5.864 -6.834 1.00 0.00 C ATOM 649 CG2 VAL A 44 6.330 -4.028 -7.038 1.00 0.00 C ATOM 0 H VAL A 44 7.374 -4.314 -9.677 1.00 0.00 H new ATOM 0 HA VAL A 44 6.422 -6.974 -8.829 1.00 0.00 H new ATOM 0 HB VAL A 44 5.912 -6.079 -6.636 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.171 -5.587 -5.790 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.179 -6.936 -6.951 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.733 -5.323 -7.458 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.503 -3.776 -5.992 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.996 -3.438 -7.668 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.295 -3.807 -7.298 1.00 0.00 H new ATOM 659 N ARG A 45 3.953 -6.110 -8.669 1.00 0.00 N ATOM 660 CA ARG A 45 2.575 -5.761 -8.994 1.00 0.00 C ATOM 661 C ARG A 45 1.674 -5.907 -7.772 1.00 0.00 C ATOM 662 O ARG A 45 1.686 -6.938 -7.100 1.00 0.00 O ATOM 663 CB ARG A 45 2.058 -6.643 -10.131 1.00 0.00 C ATOM 664 CG ARG A 45 0.562 -6.514 -10.370 1.00 0.00 C ATOM 665 CD ARG A 45 0.260 -5.550 -11.506 1.00 0.00 C ATOM 666 NE ARG A 45 1.183 -5.716 -12.625 1.00 0.00 N ATOM 667 CZ ARG A 45 1.053 -6.660 -13.551 1.00 0.00 C ATOM 668 NH1 ARG A 45 0.044 -7.518 -13.491 1.00 0.00 N ATOM 669 NH2 ARG A 45 1.934 -6.747 -14.539 1.00 0.00 N ATOM 0 H ARG A 45 4.049 -6.918 -8.054 1.00 0.00 H new ATOM 0 HA ARG A 45 2.557 -4.719 -9.314 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.587 -6.386 -11.048 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.293 -7.684 -9.908 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.144 -7.494 -10.602 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.075 -6.167 -9.458 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.762 -5.707 -11.852 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.318 -4.526 -11.137 1.00 0.00 H new ATOM 0 HE ARG A 45 1.971 -5.072 -12.700 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.635 -7.454 -12.733 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.053 -8.242 -14.203 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.712 -6.089 -14.588 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.834 -7.472 -15.249 1.00 0.00 H new ATOM 683 N TRP A 46 0.896 -4.868 -7.490 1.00 0.00 N ATOM 684 CA TRP A 46 -0.011 -4.881 -6.347 1.00 0.00 C ATOM 685 C TRP A 46 -1.415 -5.297 -6.772 1.00 0.00 C ATOM 686 O TRP A 46 -1.879 -4.940 -7.856 1.00 0.00 O ATOM 687 CB TRP A 46 -0.052 -3.502 -5.687 1.00 0.00 C ATOM 688 CG TRP A 46 1.265 -3.082 -5.107 1.00 0.00 C ATOM 689 CD1 TRP A 46 2.325 -2.548 -5.783 1.00 0.00 C ATOM 690 CD2 TRP A 46 1.662 -3.164 -3.734 1.00 0.00 C ATOM 691 NE1 TRP A 46 3.357 -2.293 -4.912 1.00 0.00 N ATOM 692 CE2 TRP A 46 2.975 -2.661 -3.649 1.00 0.00 C ATOM 693 CE3 TRP A 46 1.036 -3.611 -2.567 1.00 0.00 C ATOM 694 CZ2 TRP A 46 3.670 -2.595 -2.445 1.00 0.00 C ATOM 695 CZ3 TRP A 46 1.727 -3.545 -1.373 1.00 0.00 C ATOM 696 CH2 TRP A 46 3.033 -3.039 -1.318 1.00 0.00 C ATOM 0 H TRP A 46 0.875 -4.007 -8.036 1.00 0.00 H new ATOM 0 HA TRP A 46 0.361 -5.610 -5.627 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.369 -2.764 -6.424 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.804 -3.507 -4.898 1.00 0.00 H new ATOM 0 HD1 TRP A 46 2.349 -2.355 -6.845 1.00 0.00 H new ATOM 0 HE1 TRP A 46 4.261 -1.894 -5.165 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.029 -4.001 -2.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 4.677 -2.207 -2.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 1.253 -3.889 -0.466 1.00 0.00 H new ATOM 0 HH2 TRP A 46 3.546 -2.999 -0.369 1.00 0.00 H new ATOM 707 N THR A 47 -2.090 -6.053 -5.912 1.00 0.00 N ATOM 708 CA THR A 47 -3.441 -6.517 -6.199 1.00 0.00 C ATOM 709 C THR A 47 -4.315 -6.473 -4.950 1.00 0.00 C ATOM 710 O THR A 47 -3.909 -6.926 -3.880 1.00 0.00 O ATOM 711 CB THR A 47 -3.435 -7.953 -6.756 1.00 0.00 C ATOM 712 OG1 THR A 47 -2.723 -8.821 -5.867 1.00 0.00 O ATOM 713 CG2 THR A 47 -2.795 -7.996 -8.135 1.00 0.00 C ATOM 0 H THR A 47 -1.722 -6.357 -5.010 1.00 0.00 H new ATOM 0 HA THR A 47 -3.853 -5.844 -6.951 1.00 0.00 H new ATOM 0 HB THR A 47 -4.468 -8.290 -6.842 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.237 -8.285 -5.206 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.802 -9.020 -8.508 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.357 -7.358 -8.817 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.767 -7.641 -8.070 1.00 0.00 H new ATOM 721 N LYS A 48 -5.516 -5.924 -5.094 1.00 0.00 N ATOM 722 CA LYS A 48 -6.449 -5.822 -3.978 1.00 0.00 C ATOM 723 C LYS A 48 -7.592 -6.821 -4.130 1.00 0.00 C ATOM 724 O LYS A 48 -8.462 -6.657 -4.986 1.00 0.00 O ATOM 725 CB LYS A 48 -7.009 -4.401 -3.883 1.00 0.00 C ATOM 726 CG LYS A 48 -7.577 -4.061 -2.516 1.00 0.00 C ATOM 727 CD LYS A 48 -7.857 -2.573 -2.383 1.00 0.00 C ATOM 728 CE LYS A 48 -8.968 -2.302 -1.380 1.00 0.00 C ATOM 729 NZ LYS A 48 -10.272 -2.859 -1.834 1.00 0.00 N ATOM 0 H LYS A 48 -5.866 -5.543 -5.973 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.907 -6.055 -3.062 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.218 -3.691 -4.125 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.790 -4.276 -4.633 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.498 -4.621 -2.354 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.875 -4.371 -1.742 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.949 -2.057 -2.070 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.136 -2.166 -3.355 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.702 -2.738 -0.417 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.065 -1.227 -1.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.049 -2.317 -1.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.335 -2.794 -2.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.344 -3.855 -1.544 1.00 0.00 H new ATOM 743 N ASP A 49 -7.584 -7.854 -3.296 1.00 0.00 N ATOM 744 CA ASP A 49 -8.621 -8.878 -3.337 1.00 0.00 C ATOM 745 C ASP A 49 -8.662 -9.556 -4.703 1.00 0.00 C ATOM 746 O ASP A 49 -9.726 -9.696 -5.306 1.00 0.00 O ATOM 747 CB ASP A 49 -9.985 -8.266 -3.016 1.00 0.00 C ATOM 748 CG ASP A 49 -10.962 -9.285 -2.465 1.00 0.00 C ATOM 749 OD1 ASP A 49 -10.674 -9.866 -1.397 1.00 0.00 O ATOM 750 OD2 ASP A 49 -12.015 -9.503 -3.101 1.00 0.00 O ATOM 0 H ASP A 49 -6.871 -8.005 -2.583 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.384 -9.631 -2.585 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.857 -7.461 -2.292 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.401 -7.820 -3.919 1.00 0.00 H new ATOM 755 N GLY A 50 -7.496 -9.973 -5.187 1.00 0.00 N ATOM 756 CA GLY A 50 -7.421 -10.630 -6.479 1.00 0.00 C ATOM 757 C GLY A 50 -7.318 -9.643 -7.625 1.00 0.00 C ATOM 758 O GLY A 50 -6.729 -9.946 -8.662 1.00 0.00 O ATOM 0 H GLY A 50 -6.602 -9.868 -4.707 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.557 -11.294 -6.496 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.304 -11.253 -6.618 1.00 0.00 H new ATOM 762 N GLU A 51 -7.895 -8.460 -7.439 1.00 0.00 N ATOM 763 CA GLU A 51 -7.867 -7.427 -8.468 1.00 0.00 C ATOM 764 C GLU A 51 -6.557 -6.646 -8.419 1.00 0.00 C ATOM 765 O GLU A 51 -5.844 -6.673 -7.417 1.00 0.00 O ATOM 766 CB GLU A 51 -9.050 -6.472 -8.296 1.00 0.00 C ATOM 767 CG GLU A 51 -10.402 -7.135 -8.500 1.00 0.00 C ATOM 768 CD GLU A 51 -11.519 -6.420 -7.764 1.00 0.00 C ATOM 769 OE1 GLU A 51 -11.595 -5.178 -7.862 1.00 0.00 O ATOM 770 OE2 GLU A 51 -12.317 -7.105 -7.089 1.00 0.00 O ATOM 0 H GLU A 51 -8.387 -8.193 -6.586 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.943 -7.916 -9.439 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.014 -6.039 -7.296 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.948 -5.649 -9.004 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.632 -7.162 -9.565 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.351 -8.169 -8.159 1.00 0.00 H new ATOM 777 N GLU A 52 -6.249 -5.951 -9.510 1.00 0.00 N ATOM 778 CA GLU A 52 -5.024 -5.163 -9.592 1.00 0.00 C ATOM 779 C GLU A 52 -5.305 -3.690 -9.307 1.00 0.00 C ATOM 780 O GLU A 52 -6.260 -3.116 -9.829 1.00 0.00 O ATOM 781 CB GLU A 52 -4.386 -5.314 -10.974 1.00 0.00 C ATOM 782 CG GLU A 52 -3.167 -4.431 -11.181 1.00 0.00 C ATOM 783 CD GLU A 52 -2.979 -4.026 -12.630 1.00 0.00 C ATOM 784 OE1 GLU A 52 -2.799 -4.924 -13.479 1.00 0.00 O ATOM 785 OE2 GLU A 52 -3.013 -2.810 -12.915 1.00 0.00 O ATOM 0 H GLU A 52 -6.830 -5.918 -10.348 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.331 -5.536 -8.838 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.099 -6.355 -11.121 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.129 -5.078 -11.736 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.263 -3.536 -10.567 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.278 -4.959 -10.837 1.00 0.00 H new ATOM 792 N VAL A 53 -4.465 -3.084 -8.473 1.00 0.00 N ATOM 793 CA VAL A 53 -4.621 -1.679 -8.119 1.00 0.00 C ATOM 794 C VAL A 53 -4.097 -0.771 -9.226 1.00 0.00 C ATOM 795 O VAL A 53 -2.994 -0.967 -9.735 1.00 0.00 O ATOM 796 CB VAL A 53 -3.885 -1.346 -6.807 1.00 0.00 C ATOM 797 CG1 VAL A 53 -4.444 -2.171 -5.657 1.00 0.00 C ATOM 798 CG2 VAL A 53 -2.389 -1.578 -6.962 1.00 0.00 C ATOM 0 H VAL A 53 -3.670 -3.545 -8.030 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.688 -1.504 -7.984 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.045 -0.292 -6.578 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.912 -1.922 -4.739 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.504 -1.951 -5.533 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.317 -3.231 -5.874 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.885 -1.338 -6.026 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.207 -2.623 -7.215 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.002 -0.940 -7.757 1.00 0.00 H new ATOM 808 N VAL A 54 -4.897 0.224 -9.595 1.00 0.00 N ATOM 809 CA VAL A 54 -4.515 1.165 -10.642 1.00 0.00 C ATOM 810 C VAL A 54 -4.208 2.540 -10.060 1.00 0.00 C ATOM 811 O VAL A 54 -4.923 3.028 -9.186 1.00 0.00 O ATOM 812 CB VAL A 54 -5.622 1.304 -11.703 1.00 0.00 C ATOM 813 CG1 VAL A 54 -6.890 1.870 -11.082 1.00 0.00 C ATOM 814 CG2 VAL A 54 -5.148 2.176 -12.856 1.00 0.00 C ATOM 0 H VAL A 54 -5.814 0.400 -9.185 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.618 0.765 -11.115 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.850 0.313 -12.096 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.661 1.961 -11.847 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.238 1.203 -10.294 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.681 2.853 -10.659 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.943 2.264 -13.597 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.891 3.167 -12.481 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.270 1.723 -13.317 1.00 0.00 H new ATOM 824 N GLU A 55 -3.139 3.160 -10.551 1.00 0.00 N ATOM 825 CA GLU A 55 -2.738 4.479 -10.079 1.00 0.00 C ATOM 826 C GLU A 55 -3.944 5.409 -9.971 1.00 0.00 C ATOM 827 O GLU A 55 -4.897 5.298 -10.742 1.00 0.00 O ATOM 828 CB GLU A 55 -1.695 5.087 -11.019 1.00 0.00 C ATOM 829 CG GLU A 55 -0.264 4.725 -10.656 1.00 0.00 C ATOM 830 CD GLU A 55 0.649 4.671 -11.865 1.00 0.00 C ATOM 831 OE1 GLU A 55 0.525 5.553 -12.741 1.00 0.00 O ATOM 832 OE2 GLU A 55 1.486 3.747 -11.936 1.00 0.00 O ATOM 0 H GLU A 55 -2.536 2.770 -11.275 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.300 4.363 -9.088 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.898 4.755 -12.037 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.800 6.172 -11.011 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.123 5.456 -9.946 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.254 3.757 -10.155 1.00 0.00 H new ATOM 839 N SER A 56 -3.894 6.324 -9.008 1.00 0.00 N ATOM 840 CA SER A 56 -4.983 7.270 -8.796 1.00 0.00 C ATOM 841 C SER A 56 -4.577 8.350 -7.798 1.00 0.00 C ATOM 842 O SER A 56 -3.565 8.243 -7.105 1.00 0.00 O ATOM 843 CB SER A 56 -6.231 6.540 -8.295 1.00 0.00 C ATOM 844 OG SER A 56 -5.893 5.290 -7.719 1.00 0.00 O ATOM 0 H SER A 56 -3.111 6.430 -8.363 1.00 0.00 H new ATOM 0 HA SER A 56 -5.208 7.747 -9.750 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.746 7.156 -7.558 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.924 6.387 -9.123 1.00 0.00 H new ATOM 0 HG SER A 56 -6.707 4.844 -7.405 1.00 0.00 H new ATOM 850 N PRO A 57 -5.385 9.418 -7.723 1.00 0.00 N ATOM 851 CA PRO A 57 -5.132 10.540 -6.813 1.00 0.00 C ATOM 852 C PRO A 57 -5.338 10.158 -5.351 1.00 0.00 C ATOM 853 O PRO A 57 -5.231 10.999 -4.460 1.00 0.00 O ATOM 854 CB PRO A 57 -6.165 11.585 -7.243 1.00 0.00 C ATOM 855 CG PRO A 57 -7.265 10.797 -7.865 1.00 0.00 C ATOM 856 CD PRO A 57 -6.609 9.613 -8.519 1.00 0.00 C ATOM 0 HA PRO A 57 -4.101 10.889 -6.873 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.524 12.161 -6.390 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.738 12.296 -7.951 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -7.988 10.477 -7.115 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.808 11.395 -8.596 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.251 8.732 -8.492 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.380 9.808 -9.567 1.00 0.00 H new ATOM 864 N ALA A 58 -5.633 8.885 -5.113 1.00 0.00 N ATOM 865 CA ALA A 58 -5.851 8.392 -3.759 1.00 0.00 C ATOM 866 C ALA A 58 -4.877 7.268 -3.420 1.00 0.00 C ATOM 867 O ALA A 58 -4.754 6.867 -2.262 1.00 0.00 O ATOM 868 CB ALA A 58 -7.287 7.915 -3.595 1.00 0.00 C ATOM 0 H ALA A 58 -5.727 8.176 -5.840 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.671 9.215 -3.067 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -7.435 7.550 -2.579 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -7.970 8.743 -3.786 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.486 7.110 -4.303 1.00 0.00 H new ATOM 874 N LEU A 59 -4.187 6.763 -4.437 1.00 0.00 N ATOM 875 CA LEU A 59 -3.224 5.684 -4.247 1.00 0.00 C ATOM 876 C LEU A 59 -1.931 5.969 -5.005 1.00 0.00 C ATOM 877 O LEU A 59 -1.843 5.737 -6.212 1.00 0.00 O ATOM 878 CB LEU A 59 -3.819 4.354 -4.712 1.00 0.00 C ATOM 879 CG LEU A 59 -2.887 3.144 -4.653 1.00 0.00 C ATOM 880 CD1 LEU A 59 -3.674 1.877 -4.358 1.00 0.00 C ATOM 881 CD2 LEU A 59 -2.114 3.003 -5.957 1.00 0.00 C ATOM 0 H LEU A 59 -4.277 7.083 -5.401 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.994 5.619 -3.184 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.698 4.140 -4.104 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.163 4.472 -5.739 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.172 3.299 -3.845 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.993 1.026 -4.320 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.181 1.979 -3.399 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.412 1.716 -5.144 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.455 2.137 -5.898 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.814 2.871 -6.782 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.519 3.900 -6.126 1.00 0.00 H new ATOM 893 N LEU A 60 -0.931 6.471 -4.291 1.00 0.00 N ATOM 894 CA LEU A 60 0.359 6.785 -4.895 1.00 0.00 C ATOM 895 C LEU A 60 1.323 5.611 -4.763 1.00 0.00 C ATOM 896 O LEU A 60 1.553 5.102 -3.665 1.00 0.00 O ATOM 897 CB LEU A 60 0.961 8.030 -4.242 1.00 0.00 C ATOM 898 CG LEU A 60 0.091 9.287 -4.264 1.00 0.00 C ATOM 899 CD1 LEU A 60 0.737 10.398 -3.450 1.00 0.00 C ATOM 900 CD2 LEU A 60 -0.149 9.744 -5.695 1.00 0.00 C ATOM 0 H LEU A 60 -0.988 6.670 -3.292 1.00 0.00 H new ATOM 0 HA LEU A 60 0.197 6.981 -5.955 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.196 7.794 -3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.904 8.256 -4.739 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.872 9.047 -3.813 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.103 11.285 -3.477 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.858 10.070 -2.418 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.714 10.637 -3.871 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.770 10.640 -5.692 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.806 9.966 -6.171 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.655 8.954 -6.249 1.00 0.00 H new ATOM 912 N LEU A 61 1.887 5.185 -5.888 1.00 0.00 N ATOM 913 CA LEU A 61 2.829 4.071 -5.898 1.00 0.00 C ATOM 914 C LEU A 61 4.268 4.575 -5.874 1.00 0.00 C ATOM 915 O LEU A 61 4.739 5.183 -6.836 1.00 0.00 O ATOM 916 CB LEU A 61 2.603 3.198 -7.134 1.00 0.00 C ATOM 917 CG LEU A 61 1.212 2.578 -7.272 1.00 0.00 C ATOM 918 CD1 LEU A 61 1.134 1.716 -8.523 1.00 0.00 C ATOM 919 CD2 LEU A 61 0.868 1.759 -6.036 1.00 0.00 C ATOM 0 H LEU A 61 1.708 5.594 -6.805 1.00 0.00 H new ATOM 0 HA LEU A 61 2.658 3.474 -5.002 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.800 3.800 -8.021 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.338 2.393 -7.125 1.00 0.00 H new ATOM 0 HG LEU A 61 0.484 3.384 -7.364 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.137 1.283 -8.605 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.336 2.330 -9.401 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.873 0.917 -8.461 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.125 1.325 -6.152 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.600 0.961 -5.913 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.882 2.403 -5.157 1.00 0.00 H new ATOM 931 N GLN A 62 4.962 4.317 -4.770 1.00 0.00 N ATOM 932 CA GLN A 62 6.348 4.744 -4.622 1.00 0.00 C ATOM 933 C GLN A 62 7.306 3.599 -4.936 1.00 0.00 C ATOM 934 O GLN A 62 6.994 2.432 -4.700 1.00 0.00 O ATOM 935 CB GLN A 62 6.597 5.259 -3.204 1.00 0.00 C ATOM 936 CG GLN A 62 5.861 6.551 -2.888 1.00 0.00 C ATOM 937 CD GLN A 62 5.907 7.544 -4.033 1.00 0.00 C ATOM 938 OE1 GLN A 62 6.977 7.854 -4.558 1.00 0.00 O ATOM 939 NE2 GLN A 62 4.743 8.048 -4.426 1.00 0.00 N ATOM 0 H GLN A 62 4.587 3.815 -3.965 1.00 0.00 H new ATOM 0 HA GLN A 62 6.531 5.552 -5.331 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.293 4.494 -2.490 1.00 0.00 H new ATOM 0 HB3 GLN A 62 7.667 5.417 -3.066 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.822 6.324 -2.651 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.299 7.006 -2.000 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.881 7.762 -3.962 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.711 8.721 -5.192 1.00 0.00 H new ATOM 948 N LYS A 63 8.474 3.941 -5.469 1.00 0.00 N ATOM 949 CA LYS A 63 9.480 2.943 -5.814 1.00 0.00 C ATOM 950 C LYS A 63 10.876 3.420 -5.426 1.00 0.00 C ATOM 951 O LYS A 63 11.304 4.503 -5.825 1.00 0.00 O ATOM 952 CB LYS A 63 9.432 2.639 -7.313 1.00 0.00 C ATOM 953 CG LYS A 63 8.074 2.156 -7.793 1.00 0.00 C ATOM 954 CD LYS A 63 7.205 3.311 -8.260 1.00 0.00 C ATOM 955 CE LYS A 63 6.045 2.825 -9.117 1.00 0.00 C ATOM 956 NZ LYS A 63 6.506 2.327 -10.442 1.00 0.00 N ATOM 0 H LYS A 63 8.748 4.902 -5.672 1.00 0.00 H new ATOM 0 HA LYS A 63 9.259 2.033 -5.257 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.705 3.538 -7.866 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.181 1.882 -7.546 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.207 1.446 -8.609 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.570 1.623 -6.986 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.819 3.850 -7.395 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.810 4.016 -8.831 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.515 2.029 -8.594 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.334 3.639 -9.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.701 2.294 -11.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.235 2.966 -10.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.905 1.373 -10.334 1.00 0.00 H new ATOM 970 N GLU A 64 11.580 2.605 -4.647 1.00 0.00 N ATOM 971 CA GLU A 64 12.928 2.945 -4.207 1.00 0.00 C ATOM 972 C GLU A 64 13.974 2.203 -5.034 1.00 0.00 C ATOM 973 O GLU A 64 13.642 1.510 -5.996 1.00 0.00 O ATOM 974 CB GLU A 64 13.103 2.610 -2.724 1.00 0.00 C ATOM 975 CG GLU A 64 13.945 3.624 -1.967 1.00 0.00 C ATOM 976 CD GLU A 64 13.690 3.593 -0.472 1.00 0.00 C ATOM 977 OE1 GLU A 64 14.374 2.820 0.230 1.00 0.00 O ATOM 978 OE2 GLU A 64 12.807 4.343 -0.006 1.00 0.00 O ATOM 0 H GLU A 64 11.240 1.705 -4.308 1.00 0.00 H new ATOM 0 HA GLU A 64 13.070 4.016 -4.350 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.121 2.544 -2.256 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.565 1.627 -2.634 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.000 3.428 -2.156 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.733 4.623 -2.347 1.00 0.00 H new ATOM 985 N ASP A 65 15.237 2.355 -4.653 1.00 0.00 N ATOM 986 CA ASP A 65 16.333 1.700 -5.358 1.00 0.00 C ATOM 987 C ASP A 65 16.035 0.219 -5.569 1.00 0.00 C ATOM 988 O ASP A 65 15.768 -0.219 -6.689 1.00 0.00 O ATOM 989 CB ASP A 65 17.639 1.865 -4.580 1.00 0.00 C ATOM 990 CG ASP A 65 18.852 1.910 -5.488 1.00 0.00 C ATOM 991 OD1 ASP A 65 18.859 2.732 -6.429 1.00 0.00 O ATOM 992 OD2 ASP A 65 19.795 1.124 -5.258 1.00 0.00 O ATOM 0 H ASP A 65 15.528 2.926 -3.860 1.00 0.00 H new ATOM 0 HA ASP A 65 16.439 2.173 -6.334 1.00 0.00 H new ATOM 0 HB2 ASP A 65 17.595 2.782 -3.992 1.00 0.00 H new ATOM 0 HB3 ASP A 65 17.746 1.040 -3.876 1.00 0.00 H new ATOM 997 N THR A 66 16.083 -0.550 -4.485 1.00 0.00 N ATOM 998 CA THR A 66 15.821 -1.982 -4.551 1.00 0.00 C ATOM 999 C THR A 66 14.561 -2.346 -3.775 1.00 0.00 C ATOM 1000 O THR A 66 14.169 -3.512 -3.719 1.00 0.00 O ATOM 1001 CB THR A 66 17.005 -2.796 -3.997 1.00 0.00 C ATOM 1002 OG1 THR A 66 17.515 -2.174 -2.812 1.00 0.00 O ATOM 1003 CG2 THR A 66 18.114 -2.912 -5.032 1.00 0.00 C ATOM 0 H THR A 66 16.301 -0.204 -3.551 1.00 0.00 H new ATOM 0 HA THR A 66 15.681 -2.230 -5.603 1.00 0.00 H new ATOM 0 HB THR A 66 16.648 -3.797 -3.757 1.00 0.00 H new ATOM 0 HG1 THR A 66 18.267 -2.698 -2.465 1.00 0.00 H new ATOM 0 HG21 THR A 66 18.939 -3.491 -4.618 1.00 0.00 H new ATOM 0 HG22 THR A 66 17.731 -3.412 -5.922 1.00 0.00 H new ATOM 0 HG23 THR A 66 18.468 -1.916 -5.299 1.00 0.00 H new ATOM 1011 N VAL A 67 13.928 -1.342 -3.178 1.00 0.00 N ATOM 1012 CA VAL A 67 12.710 -1.557 -2.406 1.00 0.00 C ATOM 1013 C VAL A 67 11.576 -0.671 -2.910 1.00 0.00 C ATOM 1014 O VAL A 67 11.799 0.470 -3.316 1.00 0.00 O ATOM 1015 CB VAL A 67 12.937 -1.277 -0.908 1.00 0.00 C ATOM 1016 CG1 VAL A 67 13.690 0.031 -0.718 1.00 0.00 C ATOM 1017 CG2 VAL A 67 11.611 -1.252 -0.164 1.00 0.00 C ATOM 0 H VAL A 67 14.238 -0.371 -3.214 1.00 0.00 H new ATOM 0 HA VAL A 67 12.435 -2.604 -2.535 1.00 0.00 H new ATOM 0 HB VAL A 67 13.544 -2.082 -0.493 1.00 0.00 H new ATOM 0 HG11 VAL A 67 13.841 0.212 0.346 1.00 0.00 H new ATOM 0 HG12 VAL A 67 14.657 -0.030 -1.217 1.00 0.00 H new ATOM 0 HG13 VAL A 67 13.112 0.849 -1.147 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.790 -1.053 0.893 1.00 0.00 H new ATOM 0 HG22 VAL A 67 10.976 -0.469 -0.578 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.115 -2.216 -0.272 1.00 0.00 H new ATOM 1027 N ARG A 68 10.359 -1.204 -2.881 1.00 0.00 N ATOM 1028 CA ARG A 68 9.189 -0.462 -3.336 1.00 0.00 C ATOM 1029 C ARG A 68 8.327 -0.028 -2.155 1.00 0.00 C ATOM 1030 O ARG A 68 8.372 -0.634 -1.084 1.00 0.00 O ATOM 1031 CB ARG A 68 8.361 -1.315 -4.299 1.00 0.00 C ATOM 1032 CG ARG A 68 9.151 -1.830 -5.491 1.00 0.00 C ATOM 1033 CD ARG A 68 9.468 -0.714 -6.474 1.00 0.00 C ATOM 1034 NE ARG A 68 10.169 -1.208 -7.656 1.00 0.00 N ATOM 1035 CZ ARG A 68 9.551 -1.714 -8.718 1.00 0.00 C ATOM 1036 NH1 ARG A 68 8.228 -1.792 -8.745 1.00 0.00 N ATOM 1037 NH2 ARG A 68 10.258 -2.144 -9.755 1.00 0.00 N ATOM 0 H ARG A 68 10.157 -2.147 -2.547 1.00 0.00 H new ATOM 0 HA ARG A 68 9.536 0.430 -3.857 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.947 -2.164 -3.755 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.518 -0.726 -4.660 1.00 0.00 H new ATOM 0 HG2 ARG A 68 10.079 -2.285 -5.145 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.582 -2.610 -5.996 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.542 -0.226 -6.779 1.00 0.00 H new ATOM 0 HD3 ARG A 68 10.079 0.042 -5.980 1.00 0.00 H new ATOM 0 HE ARG A 68 11.188 -1.162 -7.667 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.681 -1.463 -7.949 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.757 -2.181 -9.562 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.276 -2.086 -9.737 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.783 -2.532 -10.570 1.00 0.00 H new ATOM 1051 N ARG A 69 7.543 1.027 -2.356 1.00 0.00 N ATOM 1052 CA ARG A 69 6.673 1.543 -1.307 1.00 0.00 C ATOM 1053 C ARG A 69 5.350 2.034 -1.891 1.00 0.00 C ATOM 1054 O ARG A 69 5.307 2.557 -3.005 1.00 0.00 O ATOM 1055 CB ARG A 69 7.364 2.682 -0.556 1.00 0.00 C ATOM 1056 CG ARG A 69 8.404 2.207 0.446 1.00 0.00 C ATOM 1057 CD ARG A 69 8.704 3.276 1.486 1.00 0.00 C ATOM 1058 NE ARG A 69 9.662 4.263 0.997 1.00 0.00 N ATOM 1059 CZ ARG A 69 9.777 5.487 1.498 1.00 0.00 C ATOM 1060 NH1 ARG A 69 8.997 5.873 2.499 1.00 0.00 N ATOM 1061 NH2 ARG A 69 10.674 6.328 0.999 1.00 0.00 N ATOM 0 H ARG A 69 7.493 1.540 -3.236 1.00 0.00 H new ATOM 0 HA ARG A 69 6.465 0.731 -0.610 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.843 3.344 -1.278 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.611 3.271 -0.033 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.047 1.305 0.942 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.321 1.940 -0.079 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.778 3.778 1.767 1.00 0.00 H new ATOM 0 HD3 ARG A 69 9.097 2.805 2.387 1.00 0.00 H new ATOM 0 HE ARG A 69 10.277 3.998 0.228 1.00 0.00 H new ATOM 0 HH11 ARG A 69 8.307 5.229 2.886 1.00 0.00 H new ATOM 0 HH12 ARG A 69 9.087 6.814 2.882 1.00 0.00 H new ATOM 0 HH21 ARG A 69 11.276 6.034 0.230 1.00 0.00 H new ATOM 0 HH22 ARG A 69 10.761 7.268 1.385 1.00 0.00 H new ATOM 1075 N LEU A 70 4.274 1.860 -1.131 1.00 0.00 N ATOM 1076 CA LEU A 70 2.950 2.284 -1.572 1.00 0.00 C ATOM 1077 C LEU A 70 2.365 3.322 -0.620 1.00 0.00 C ATOM 1078 O LEU A 70 1.836 2.981 0.438 1.00 0.00 O ATOM 1079 CB LEU A 70 2.013 1.079 -1.669 1.00 0.00 C ATOM 1080 CG LEU A 70 0.518 1.380 -1.555 1.00 0.00 C ATOM 1081 CD1 LEU A 70 0.110 2.446 -2.560 1.00 0.00 C ATOM 1082 CD2 LEU A 70 -0.298 0.112 -1.757 1.00 0.00 C ATOM 0 H LEU A 70 4.293 1.428 -0.207 1.00 0.00 H new ATOM 0 HA LEU A 70 3.051 2.738 -2.558 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.191 0.581 -2.622 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.282 0.371 -0.885 1.00 0.00 H new ATOM 0 HG LEU A 70 0.318 1.760 -0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.957 2.647 -2.464 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.670 3.361 -2.368 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.324 2.095 -3.570 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.359 0.345 -1.672 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.094 -0.298 -2.746 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.026 -0.621 -0.997 1.00 0.00 H new ATOM 1094 N VAL A 71 2.463 4.591 -1.003 1.00 0.00 N ATOM 1095 CA VAL A 71 1.941 5.679 -0.185 1.00 0.00 C ATOM 1096 C VAL A 71 0.542 6.083 -0.636 1.00 0.00 C ATOM 1097 O VAL A 71 0.265 6.175 -1.833 1.00 0.00 O ATOM 1098 CB VAL A 71 2.862 6.913 -0.238 1.00 0.00 C ATOM 1099 CG1 VAL A 71 2.211 8.095 0.464 1.00 0.00 C ATOM 1100 CG2 VAL A 71 4.214 6.594 0.381 1.00 0.00 C ATOM 0 H VAL A 71 2.899 4.891 -1.875 1.00 0.00 H new ATOM 0 HA VAL A 71 1.897 5.311 0.840 1.00 0.00 H new ATOM 0 HB VAL A 71 3.020 7.183 -1.282 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.876 8.957 0.417 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.268 8.336 -0.027 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.022 7.840 1.507 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.852 7.476 0.335 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.077 6.298 1.421 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.683 5.778 -0.169 1.00 0.00 H new ATOM 1110 N LEU A 72 -0.338 6.325 0.329 1.00 0.00 N ATOM 1111 CA LEU A 72 -1.711 6.721 0.032 1.00 0.00 C ATOM 1112 C LEU A 72 -2.045 8.058 0.685 1.00 0.00 C ATOM 1113 O LEU A 72 -2.272 8.148 1.892 1.00 0.00 O ATOM 1114 CB LEU A 72 -2.688 5.646 0.513 1.00 0.00 C ATOM 1115 CG LEU A 72 -2.687 4.337 -0.276 1.00 0.00 C ATOM 1116 CD1 LEU A 72 -1.479 3.490 0.097 1.00 0.00 C ATOM 1117 CD2 LEU A 72 -3.976 3.566 -0.032 1.00 0.00 C ATOM 0 H LEU A 72 -0.126 6.254 1.324 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.806 6.832 -1.048 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.463 5.419 1.555 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.695 6.061 0.488 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.625 4.575 -1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.495 2.562 -0.474 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.565 4.040 -0.129 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.510 3.261 1.162 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.958 2.637 -0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.069 3.339 1.030 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.826 4.169 -0.349 1.00 0.00 H new ATOM 1129 N PRO A 73 -2.080 9.123 -0.130 1.00 0.00 N ATOM 1130 CA PRO A 73 -2.390 10.474 0.346 1.00 0.00 C ATOM 1131 C PRO A 73 -3.849 10.622 0.763 1.00 0.00 C ATOM 1132 O PRO A 73 -4.229 11.614 1.384 1.00 0.00 O ATOM 1133 CB PRO A 73 -2.088 11.356 -0.868 1.00 0.00 C ATOM 1134 CG PRO A 73 -2.253 10.453 -2.042 1.00 0.00 C ATOM 1135 CD PRO A 73 -1.821 9.089 -1.579 1.00 0.00 C ATOM 0 HA PRO A 73 -1.814 10.735 1.234 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.771 12.204 -0.921 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.078 11.763 -0.820 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.289 10.440 -2.382 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.646 10.790 -2.882 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.389 8.299 -2.070 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.768 8.906 -1.795 1.00 0.00 H new ATOM 1143 N ALA A 74 -4.662 9.629 0.418 1.00 0.00 N ATOM 1144 CA ALA A 74 -6.079 9.648 0.758 1.00 0.00 C ATOM 1145 C ALA A 74 -6.677 8.247 0.698 1.00 0.00 C ATOM 1146 O ALA A 74 -6.871 7.689 -0.383 1.00 0.00 O ATOM 1147 CB ALA A 74 -6.833 10.586 -0.173 1.00 0.00 C ATOM 0 H ALA A 74 -4.363 8.801 -0.097 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.177 10.013 1.780 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.890 10.590 0.093 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.431 11.595 -0.077 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.719 10.246 -1.202 1.00 0.00 H new ATOM 1153 N VAL A 75 -6.967 7.682 1.865 1.00 0.00 N ATOM 1154 CA VAL A 75 -7.544 6.345 1.945 1.00 0.00 C ATOM 1155 C VAL A 75 -9.025 6.405 2.303 1.00 0.00 C ATOM 1156 O VAL A 75 -9.551 7.469 2.628 1.00 0.00 O ATOM 1157 CB VAL A 75 -6.810 5.478 2.986 1.00 0.00 C ATOM 1158 CG1 VAL A 75 -5.321 5.786 2.983 1.00 0.00 C ATOM 1159 CG2 VAL A 75 -7.404 5.692 4.370 1.00 0.00 C ATOM 0 H VAL A 75 -6.812 8.129 2.769 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.430 5.892 0.960 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.940 4.430 2.717 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.819 5.164 3.724 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.908 5.578 1.996 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.166 6.837 3.227 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.874 5.072 5.093 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.306 6.741 4.650 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.459 5.417 4.360 1.00 0.00 H new ATOM 1169 N GLN A 76 -9.690 5.257 2.242 1.00 0.00 N ATOM 1170 CA GLN A 76 -11.111 5.180 2.560 1.00 0.00 C ATOM 1171 C GLN A 76 -11.435 3.883 3.296 1.00 0.00 C ATOM 1172 O GLN A 76 -10.848 2.836 3.019 1.00 0.00 O ATOM 1173 CB GLN A 76 -11.947 5.278 1.283 1.00 0.00 C ATOM 1174 CG GLN A 76 -11.583 6.465 0.407 1.00 0.00 C ATOM 1175 CD GLN A 76 -11.967 7.792 1.033 1.00 0.00 C ATOM 1176 OE1 GLN A 76 -12.241 7.870 2.231 1.00 0.00 O ATOM 1177 NE2 GLN A 76 -11.988 8.844 0.224 1.00 0.00 N ATOM 0 H GLN A 76 -9.268 4.367 1.975 1.00 0.00 H new ATOM 0 HA GLN A 76 -11.357 6.018 3.212 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.824 4.361 0.707 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -13.001 5.346 1.553 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -10.510 6.455 0.216 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -12.080 6.365 -0.558 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -11.754 8.733 -0.763 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -12.238 9.763 0.589 1.00 0.00 H new ATOM 1186 N LEU A 77 -12.371 3.960 4.235 1.00 0.00 N ATOM 1187 CA LEU A 77 -12.774 2.792 5.011 1.00 0.00 C ATOM 1188 C LEU A 77 -12.985 1.583 4.106 1.00 0.00 C ATOM 1189 O LEU A 77 -12.693 0.451 4.490 1.00 0.00 O ATOM 1190 CB LEU A 77 -14.056 3.090 5.791 1.00 0.00 C ATOM 1191 CG LEU A 77 -14.030 4.340 6.672 1.00 0.00 C ATOM 1192 CD1 LEU A 77 -15.409 4.611 7.254 1.00 0.00 C ATOM 1193 CD2 LEU A 77 -13.001 4.188 7.783 1.00 0.00 C ATOM 0 H LEU A 77 -12.865 4.819 4.478 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.974 2.561 5.714 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -14.876 3.188 5.080 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.282 2.230 6.421 1.00 0.00 H new ATOM 0 HG LEU A 77 -13.745 5.191 6.054 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -15.372 5.504 7.878 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -16.122 4.764 6.444 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -15.723 3.759 7.858 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -12.996 5.087 8.400 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -13.256 3.326 8.399 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -12.013 4.042 7.346 1.00 0.00 H new ATOM 1205 N GLU A 78 -13.492 1.832 2.903 1.00 0.00 N ATOM 1206 CA GLU A 78 -13.740 0.762 1.943 1.00 0.00 C ATOM 1207 C GLU A 78 -12.429 0.141 1.469 1.00 0.00 C ATOM 1208 O GLU A 78 -12.330 -1.075 1.303 1.00 0.00 O ATOM 1209 CB GLU A 78 -14.527 1.296 0.744 1.00 0.00 C ATOM 1210 CG GLU A 78 -15.809 2.015 1.129 1.00 0.00 C ATOM 1211 CD GLU A 78 -16.885 1.897 0.067 1.00 0.00 C ATOM 1212 OE1 GLU A 78 -17.078 0.782 -0.460 1.00 0.00 O ATOM 1213 OE2 GLU A 78 -17.534 2.920 -0.237 1.00 0.00 O ATOM 0 H GLU A 78 -13.739 2.764 2.570 1.00 0.00 H new ATOM 0 HA GLU A 78 -14.328 -0.009 2.441 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -13.893 1.979 0.179 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.771 0.466 0.081 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -16.183 1.605 2.067 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -15.592 3.068 1.305 1.00 0.00 H new ATOM 1220 N ASP A 79 -11.426 0.985 1.253 1.00 0.00 N ATOM 1221 CA ASP A 79 -10.121 0.520 0.799 1.00 0.00 C ATOM 1222 C ASP A 79 -9.554 -0.527 1.754 1.00 0.00 C ATOM 1223 O ASP A 79 -8.872 -1.461 1.333 1.00 0.00 O ATOM 1224 CB ASP A 79 -9.151 1.696 0.677 1.00 0.00 C ATOM 1225 CG ASP A 79 -9.266 2.406 -0.657 1.00 0.00 C ATOM 1226 OD1 ASP A 79 -10.200 3.219 -0.817 1.00 0.00 O ATOM 1227 OD2 ASP A 79 -8.423 2.147 -1.542 1.00 0.00 O ATOM 0 H ASP A 79 -11.492 1.994 1.385 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.247 0.060 -0.181 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.343 2.406 1.481 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -8.130 1.336 0.807 1.00 0.00 H new ATOM 1232 N SER A 80 -9.840 -0.362 3.041 1.00 0.00 N ATOM 1233 CA SER A 80 -9.355 -1.289 4.057 1.00 0.00 C ATOM 1234 C SER A 80 -9.649 -2.733 3.659 1.00 0.00 C ATOM 1235 O SER A 80 -10.795 -3.094 3.393 1.00 0.00 O ATOM 1236 CB SER A 80 -9.999 -0.980 5.409 1.00 0.00 C ATOM 1237 OG SER A 80 -11.311 -1.510 5.483 1.00 0.00 O ATOM 0 H SER A 80 -10.405 0.405 3.405 1.00 0.00 H new ATOM 0 HA SER A 80 -8.275 -1.165 4.141 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.389 -1.398 6.210 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.030 0.099 5.562 1.00 0.00 H new ATOM 0 HG SER A 80 -11.884 -1.056 4.831 1.00 0.00 H new ATOM 1243 N GLY A 81 -8.604 -3.554 3.621 1.00 0.00 N ATOM 1244 CA GLY A 81 -8.770 -4.949 3.255 1.00 0.00 C ATOM 1245 C GLY A 81 -7.471 -5.726 3.330 1.00 0.00 C ATOM 1246 O GLY A 81 -6.815 -5.750 4.370 1.00 0.00 O ATOM 0 H GLY A 81 -7.646 -3.278 3.837 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.504 -5.410 3.916 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.169 -5.011 2.243 1.00 0.00 H new ATOM 1250 N GLU A 82 -7.100 -6.365 2.225 1.00 0.00 N ATOM 1251 CA GLU A 82 -5.872 -7.149 2.172 1.00 0.00 C ATOM 1252 C GLU A 82 -5.040 -6.774 0.949 1.00 0.00 C ATOM 1253 O GLU A 82 -5.350 -7.175 -0.173 1.00 0.00 O ATOM 1254 CB GLU A 82 -6.196 -8.644 2.143 1.00 0.00 C ATOM 1255 CG GLU A 82 -5.124 -9.511 2.782 1.00 0.00 C ATOM 1256 CD GLU A 82 -5.602 -10.924 3.053 1.00 0.00 C ATOM 1257 OE1 GLU A 82 -6.805 -11.100 3.337 1.00 0.00 O ATOM 1258 OE2 GLU A 82 -4.773 -11.855 2.981 1.00 0.00 O ATOM 0 H GLU A 82 -7.632 -6.355 1.355 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.291 -6.928 3.067 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.142 -8.812 2.657 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.336 -8.957 1.108 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.252 -9.545 2.128 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.803 -9.054 3.718 1.00 0.00 H new ATOM 1265 N TYR A 83 -3.982 -6.003 1.174 1.00 0.00 N ATOM 1266 CA TYR A 83 -3.106 -5.571 0.091 1.00 0.00 C ATOM 1267 C TYR A 83 -2.063 -6.639 -0.224 1.00 0.00 C ATOM 1268 O TYR A 83 -1.122 -6.850 0.542 1.00 0.00 O ATOM 1269 CB TYR A 83 -2.413 -4.259 0.460 1.00 0.00 C ATOM 1270 CG TYR A 83 -3.337 -3.062 0.447 1.00 0.00 C ATOM 1271 CD1 TYR A 83 -4.294 -2.886 1.439 1.00 0.00 C ATOM 1272 CD2 TYR A 83 -3.254 -2.107 -0.559 1.00 0.00 C ATOM 1273 CE1 TYR A 83 -5.140 -1.795 1.431 1.00 0.00 C ATOM 1274 CE2 TYR A 83 -4.096 -1.011 -0.575 1.00 0.00 C ATOM 1275 CZ TYR A 83 -5.037 -0.860 0.422 1.00 0.00 C ATOM 1276 OH TYR A 83 -5.878 0.229 0.409 1.00 0.00 O ATOM 0 H TYR A 83 -3.710 -5.664 2.097 1.00 0.00 H new ATOM 0 HA TYR A 83 -3.718 -5.413 -0.797 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -1.973 -4.357 1.452 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -1.593 -4.082 -0.236 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -4.378 -3.616 2.231 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -2.519 -2.223 -1.342 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -5.878 -1.674 2.210 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -4.018 -0.277 -1.364 1.00 0.00 H new ATOM 0 HH TYR A 83 -5.674 0.791 -0.368 1.00 0.00 H new ATOM 1286 N LEU A 84 -2.236 -7.309 -1.358 1.00 0.00 N ATOM 1287 CA LEU A 84 -1.310 -8.355 -1.777 1.00 0.00 C ATOM 1288 C LEU A 84 -0.376 -7.849 -2.871 1.00 0.00 C ATOM 1289 O LEU A 84 -0.824 -7.309 -3.883 1.00 0.00 O ATOM 1290 CB LEU A 84 -2.083 -9.577 -2.277 1.00 0.00 C ATOM 1291 CG LEU A 84 -2.330 -10.682 -1.248 1.00 0.00 C ATOM 1292 CD1 LEU A 84 -1.069 -11.505 -1.035 1.00 0.00 C ATOM 1293 CD2 LEU A 84 -2.809 -10.087 0.068 1.00 0.00 C ATOM 0 H LEU A 84 -3.009 -7.147 -2.004 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.708 -8.640 -0.914 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.047 -9.241 -2.658 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.539 -10.007 -3.119 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.109 -11.341 -1.631 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.264 -12.286 -0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.769 -11.961 -1.978 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.269 -10.858 -0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.980 -10.887 0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.052 -9.405 0.456 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.739 -9.542 -0.096 1.00 0.00 H new ATOM 1305 N CYS A 85 0.924 -8.028 -2.662 1.00 0.00 N ATOM 1306 CA CYS A 85 1.922 -7.590 -3.631 1.00 0.00 C ATOM 1307 C CYS A 85 2.601 -8.786 -4.291 1.00 0.00 C ATOM 1308 O CYS A 85 3.407 -9.476 -3.668 1.00 0.00 O ATOM 1309 CB CYS A 85 2.969 -6.706 -2.952 1.00 0.00 C ATOM 1310 SG CYS A 85 4.177 -5.987 -4.088 1.00 0.00 S ATOM 0 H CYS A 85 1.311 -8.473 -1.830 1.00 0.00 H new ATOM 0 HA CYS A 85 1.413 -7.012 -4.403 1.00 0.00 H new ATOM 0 HB2 CYS A 85 2.460 -5.901 -2.422 1.00 0.00 H new ATOM 0 HB3 CYS A 85 3.497 -7.297 -2.203 1.00 0.00 H new ATOM 0 HG CYS A 85 4.009 -4.699 -4.142 1.00 0.00 H new ATOM 1316 N GLU A 86 2.266 -9.027 -5.555 1.00 0.00 N ATOM 1317 CA GLU A 86 2.842 -10.142 -6.297 1.00 0.00 C ATOM 1318 C GLU A 86 3.943 -9.659 -7.236 1.00 0.00 C ATOM 1319 O GLU A 86 3.804 -8.629 -7.896 1.00 0.00 O ATOM 1320 CB GLU A 86 1.756 -10.866 -7.097 1.00 0.00 C ATOM 1321 CG GLU A 86 0.449 -11.028 -6.340 1.00 0.00 C ATOM 1322 CD GLU A 86 -0.309 -12.278 -6.744 1.00 0.00 C ATOM 1323 OE1 GLU A 86 0.344 -13.311 -7.000 1.00 0.00 O ATOM 1324 OE2 GLU A 86 -1.555 -12.222 -6.805 1.00 0.00 O ATOM 0 H GLU A 86 1.600 -8.466 -6.086 1.00 0.00 H new ATOM 0 HA GLU A 86 3.279 -10.836 -5.579 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.567 -10.315 -8.018 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.124 -11.851 -7.385 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.655 -11.063 -5.270 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.179 -10.154 -6.516 1.00 0.00 H new ATOM 1331 N ILE A 87 5.038 -10.410 -7.290 1.00 0.00 N ATOM 1332 CA ILE A 87 6.163 -10.060 -8.148 1.00 0.00 C ATOM 1333 C ILE A 87 6.296 -11.041 -9.308 1.00 0.00 C ATOM 1334 O ILE A 87 6.302 -10.643 -10.473 1.00 0.00 O ATOM 1335 CB ILE A 87 7.485 -10.033 -7.359 1.00 0.00 C ATOM 1336 CG1 ILE A 87 8.662 -10.358 -8.282 1.00 0.00 C ATOM 1337 CG2 ILE A 87 7.429 -11.014 -6.198 1.00 0.00 C ATOM 1338 CD1 ILE A 87 9.958 -9.700 -7.863 1.00 0.00 C ATOM 0 H ILE A 87 5.170 -11.265 -6.749 1.00 0.00 H new ATOM 0 HA ILE A 87 5.963 -9.063 -8.540 1.00 0.00 H new ATOM 0 HB ILE A 87 7.630 -9.031 -6.956 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.805 -11.438 -8.309 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.416 -10.044 -9.296 1.00 0.00 H new ATOM 0 HG21 ILE A 87 8.371 -10.983 -5.650 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.612 -10.741 -5.530 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.264 -12.021 -6.580 1.00 0.00 H new ATOM 0 HD11 ILE A 87 10.748 -9.974 -8.562 1.00 0.00 H new ATOM 0 HD12 ILE A 87 9.833 -8.617 -7.863 1.00 0.00 H new ATOM 0 HD13 ILE A 87 10.228 -10.034 -6.861 1.00 0.00 H new ATOM 1350 N ASP A 88 6.401 -12.324 -8.982 1.00 0.00 N ATOM 1351 CA ASP A 88 6.531 -13.363 -9.996 1.00 0.00 C ATOM 1352 C ASP A 88 5.614 -14.542 -9.687 1.00 0.00 C ATOM 1353 O ASP A 88 4.604 -14.749 -10.360 1.00 0.00 O ATOM 1354 CB ASP A 88 7.982 -13.839 -10.087 1.00 0.00 C ATOM 1355 CG ASP A 88 8.358 -14.286 -11.485 1.00 0.00 C ATOM 1356 OD1 ASP A 88 8.577 -13.411 -12.349 1.00 0.00 O ATOM 1357 OD2 ASP A 88 8.434 -15.511 -11.717 1.00 0.00 O ATOM 0 H ASP A 88 6.399 -12.670 -8.022 1.00 0.00 H new ATOM 0 HA ASP A 88 6.236 -12.938 -10.955 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.646 -13.033 -9.776 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.135 -14.664 -9.391 1.00 0.00 H new ATOM 1362 N ASP A 89 5.973 -15.313 -8.667 1.00 0.00 N ATOM 1363 CA ASP A 89 5.183 -16.472 -8.268 1.00 0.00 C ATOM 1364 C ASP A 89 4.686 -16.323 -6.833 1.00 0.00 C ATOM 1365 O ASP A 89 3.681 -16.920 -6.450 1.00 0.00 O ATOM 1366 CB ASP A 89 6.010 -17.751 -8.405 1.00 0.00 C ATOM 1367 CG ASP A 89 6.233 -18.144 -9.852 1.00 0.00 C ATOM 1368 OD1 ASP A 89 5.430 -17.725 -10.711 1.00 0.00 O ATOM 1369 OD2 ASP A 89 7.210 -18.873 -10.125 1.00 0.00 O ATOM 0 H ASP A 89 6.807 -15.156 -8.101 1.00 0.00 H new ATOM 0 HA ASP A 89 4.318 -16.536 -8.928 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.974 -17.611 -7.917 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.505 -18.564 -7.884 1.00 0.00 H new ATOM 1374 N GLU A 90 5.399 -15.524 -6.045 1.00 0.00 N ATOM 1375 CA GLU A 90 5.030 -15.300 -4.652 1.00 0.00 C ATOM 1376 C GLU A 90 4.323 -13.958 -4.486 1.00 0.00 C ATOM 1377 O GLU A 90 4.304 -13.137 -5.403 1.00 0.00 O ATOM 1378 CB GLU A 90 6.272 -15.348 -3.759 1.00 0.00 C ATOM 1379 CG GLU A 90 7.082 -16.625 -3.911 1.00 0.00 C ATOM 1380 CD GLU A 90 6.433 -17.812 -3.226 1.00 0.00 C ATOM 1381 OE1 GLU A 90 5.371 -18.265 -3.701 1.00 0.00 O ATOM 1382 OE2 GLU A 90 6.989 -18.289 -2.214 1.00 0.00 O ATOM 0 H GLU A 90 6.234 -15.022 -6.347 1.00 0.00 H new ATOM 0 HA GLU A 90 4.344 -16.092 -4.352 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.909 -14.494 -3.990 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.965 -15.244 -2.718 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.209 -16.846 -4.971 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.078 -16.471 -3.496 1.00 0.00 H new ATOM 1389 N SER A 91 3.741 -13.744 -3.310 1.00 0.00 N ATOM 1390 CA SER A 91 3.028 -12.505 -3.024 1.00 0.00 C ATOM 1391 C SER A 91 3.204 -12.101 -1.564 1.00 0.00 C ATOM 1392 O SER A 91 3.343 -12.952 -0.686 1.00 0.00 O ATOM 1393 CB SER A 91 1.541 -12.661 -3.346 1.00 0.00 C ATOM 1394 OG SER A 91 0.984 -13.769 -2.659 1.00 0.00 O ATOM 0 H SER A 91 3.749 -14.413 -2.540 1.00 0.00 H new ATOM 0 HA SER A 91 3.448 -11.720 -3.653 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.008 -11.752 -3.068 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.410 -12.792 -4.420 1.00 0.00 H new ATOM 0 HG SER A 91 0.032 -13.846 -2.880 1.00 0.00 H new ATOM 1400 N ALA A 92 3.197 -10.796 -1.312 1.00 0.00 N ATOM 1401 CA ALA A 92 3.353 -10.279 0.042 1.00 0.00 C ATOM 1402 C ALA A 92 2.016 -9.818 0.611 1.00 0.00 C ATOM 1403 O ALA A 92 1.235 -9.155 -0.071 1.00 0.00 O ATOM 1404 CB ALA A 92 4.358 -9.136 0.057 1.00 0.00 C ATOM 0 H ALA A 92 3.085 -10.078 -2.028 1.00 0.00 H new ATOM 0 HA ALA A 92 3.727 -11.086 0.672 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.465 -8.759 1.074 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.323 -9.495 -0.300 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.007 -8.334 -0.592 1.00 0.00 H new ATOM 1410 N SER A 93 1.758 -10.174 1.866 1.00 0.00 N ATOM 1411 CA SER A 93 0.513 -9.800 2.526 1.00 0.00 C ATOM 1412 C SER A 93 0.682 -8.505 3.313 1.00 0.00 C ATOM 1413 O SER A 93 1.601 -8.372 4.122 1.00 0.00 O ATOM 1414 CB SER A 93 0.050 -10.921 3.459 1.00 0.00 C ATOM 1415 OG SER A 93 -0.969 -10.467 4.334 1.00 0.00 O ATOM 0 H SER A 93 2.395 -10.721 2.446 1.00 0.00 H new ATOM 0 HA SER A 93 -0.243 -9.640 1.757 1.00 0.00 H new ATOM 0 HB2 SER A 93 -0.320 -11.760 2.869 1.00 0.00 H new ATOM 0 HB3 SER A 93 0.896 -11.288 4.040 1.00 0.00 H new ATOM 0 HG SER A 93 -1.249 -11.202 4.919 1.00 0.00 H new ATOM 1421 N PHE A 94 -0.210 -7.551 3.070 1.00 0.00 N ATOM 1422 CA PHE A 94 -0.160 -6.264 3.755 1.00 0.00 C ATOM 1423 C PHE A 94 -1.547 -5.850 4.237 1.00 0.00 C ATOM 1424 O PHE A 94 -2.361 -5.344 3.464 1.00 0.00 O ATOM 1425 CB PHE A 94 0.411 -5.190 2.826 1.00 0.00 C ATOM 1426 CG PHE A 94 1.891 -5.315 2.605 1.00 0.00 C ATOM 1427 CD1 PHE A 94 2.788 -4.863 3.559 1.00 0.00 C ATOM 1428 CD2 PHE A 94 2.385 -5.883 1.442 1.00 0.00 C ATOM 1429 CE1 PHE A 94 4.151 -4.976 3.358 1.00 0.00 C ATOM 1430 CE2 PHE A 94 3.747 -6.000 1.236 1.00 0.00 C ATOM 1431 CZ PHE A 94 4.631 -5.545 2.194 1.00 0.00 C ATOM 0 H PHE A 94 -0.977 -7.644 2.404 1.00 0.00 H new ATOM 0 HA PHE A 94 0.491 -6.368 4.623 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -0.098 -5.245 1.864 1.00 0.00 H new ATOM 0 HB3 PHE A 94 0.196 -4.207 3.245 1.00 0.00 H new ATOM 0 HD1 PHE A 94 2.418 -4.417 4.470 1.00 0.00 H new ATOM 0 HD2 PHE A 94 1.698 -6.238 0.688 1.00 0.00 H new ATOM 0 HE1 PHE A 94 4.840 -4.620 4.110 1.00 0.00 H new ATOM 0 HE2 PHE A 94 4.119 -6.447 0.326 1.00 0.00 H new ATOM 0 HZ PHE A 94 5.695 -5.634 2.034 1.00 0.00 H new ATOM 1441 N THR A 95 -1.811 -6.070 5.522 1.00 0.00 N ATOM 1442 CA THR A 95 -3.099 -5.722 6.108 1.00 0.00 C ATOM 1443 C THR A 95 -3.170 -4.235 6.437 1.00 0.00 C ATOM 1444 O THR A 95 -2.321 -3.707 7.156 1.00 0.00 O ATOM 1445 CB THR A 95 -3.370 -6.533 7.389 1.00 0.00 C ATOM 1446 OG1 THR A 95 -3.439 -7.930 7.080 1.00 0.00 O ATOM 1447 CG2 THR A 95 -4.669 -6.090 8.046 1.00 0.00 C ATOM 0 H THR A 95 -1.149 -6.488 6.176 1.00 0.00 H new ATOM 0 HA THR A 95 -3.860 -5.963 5.366 1.00 0.00 H new ATOM 0 HB THR A 95 -2.550 -6.355 8.085 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.610 -8.438 7.900 1.00 0.00 H new ATOM 0 HG21 THR A 95 -4.839 -6.677 8.949 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.603 -5.034 8.307 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.497 -6.241 7.354 1.00 0.00 H new ATOM 1455 N VAL A 96 -4.188 -3.565 5.907 1.00 0.00 N ATOM 1456 CA VAL A 96 -4.371 -2.138 6.146 1.00 0.00 C ATOM 1457 C VAL A 96 -5.801 -1.832 6.577 1.00 0.00 C ATOM 1458 O VAL A 96 -6.694 -1.681 5.742 1.00 0.00 O ATOM 1459 CB VAL A 96 -4.036 -1.311 4.891 1.00 0.00 C ATOM 1460 CG1 VAL A 96 -4.317 0.164 5.132 1.00 0.00 C ATOM 1461 CG2 VAL A 96 -2.586 -1.525 4.483 1.00 0.00 C ATOM 0 H VAL A 96 -4.899 -3.987 5.309 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.686 -1.861 6.947 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.674 -1.649 4.074 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.074 0.732 4.234 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.372 0.299 5.373 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.707 0.520 5.962 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.367 -0.933 3.594 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.930 -1.215 5.296 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.421 -2.580 4.266 1.00 0.00 H new ATOM 1471 N THR A 97 -6.012 -1.741 7.886 1.00 0.00 N ATOM 1472 CA THR A 97 -7.334 -1.453 8.428 1.00 0.00 C ATOM 1473 C THR A 97 -7.520 0.042 8.660 1.00 0.00 C ATOM 1474 O THR A 97 -6.825 0.645 9.479 1.00 0.00 O ATOM 1475 CB THR A 97 -7.572 -2.200 9.754 1.00 0.00 C ATOM 1476 OG1 THR A 97 -7.353 -3.603 9.572 1.00 0.00 O ATOM 1477 CG2 THR A 97 -8.987 -1.965 10.261 1.00 0.00 C ATOM 0 H THR A 97 -5.284 -1.863 8.590 1.00 0.00 H new ATOM 0 HA THR A 97 -8.059 -1.796 7.690 1.00 0.00 H new ATOM 0 HB THR A 97 -6.869 -1.815 10.493 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.505 -4.070 10.420 1.00 0.00 H new ATOM 0 HG21 THR A 97 -9.132 -2.502 11.198 1.00 0.00 H new ATOM 0 HG22 THR A 97 -9.142 -0.899 10.426 1.00 0.00 H new ATOM 0 HG23 THR A 97 -9.703 -2.325 9.522 1.00 0.00 H new ATOM 1485 N VAL A 98 -8.462 0.637 7.935 1.00 0.00 N ATOM 1486 CA VAL A 98 -8.740 2.062 8.063 1.00 0.00 C ATOM 1487 C VAL A 98 -9.958 2.307 8.946 1.00 0.00 C ATOM 1488 O VAL A 98 -10.957 1.592 8.859 1.00 0.00 O ATOM 1489 CB VAL A 98 -8.977 2.714 6.688 1.00 0.00 C ATOM 1490 CG1 VAL A 98 -9.202 4.211 6.838 1.00 0.00 C ATOM 1491 CG2 VAL A 98 -7.808 2.432 5.756 1.00 0.00 C ATOM 0 H VAL A 98 -9.046 0.153 7.252 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.863 2.515 8.525 1.00 0.00 H new ATOM 0 HB VAL A 98 -9.875 2.279 6.249 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -9.368 4.654 5.856 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -10.075 4.387 7.467 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -8.325 4.666 7.298 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -7.992 2.900 4.789 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -6.893 2.838 6.187 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.700 1.356 5.623 1.00 0.00 H new ATOM 1501 N THR A 99 -9.870 3.324 9.798 1.00 0.00 N ATOM 1502 CA THR A 99 -10.965 3.663 10.699 1.00 0.00 C ATOM 1503 C THR A 99 -11.269 5.156 10.655 1.00 0.00 C ATOM 1504 O THR A 99 -10.640 5.905 9.909 1.00 0.00 O ATOM 1505 CB THR A 99 -10.644 3.258 12.150 1.00 0.00 C ATOM 1506 OG1 THR A 99 -9.350 3.746 12.520 1.00 0.00 O ATOM 1507 CG2 THR A 99 -10.688 1.746 12.312 1.00 0.00 C ATOM 0 H THR A 99 -9.052 3.927 9.883 1.00 0.00 H new ATOM 0 HA THR A 99 -11.839 3.107 10.360 1.00 0.00 H new ATOM 0 HB THR A 99 -11.398 3.699 12.802 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.154 3.486 13.444 1.00 0.00 H new ATOM 0 HG21 THR A 99 -10.458 1.484 13.345 1.00 0.00 H new ATOM 0 HG22 THR A 99 -11.683 1.382 12.058 1.00 0.00 H new ATOM 0 HG23 THR A 99 -9.954 1.288 11.649 1.00 0.00 H new ATOM 1515 N GLU A 100 -12.238 5.582 11.460 1.00 0.00 N ATOM 1516 CA GLU A 100 -12.625 6.987 11.512 1.00 0.00 C ATOM 1517 C GLU A 100 -11.749 7.756 12.497 1.00 0.00 C ATOM 1518 O GLU A 100 -11.453 7.291 13.597 1.00 0.00 O ATOM 1519 CB GLU A 100 -14.097 7.119 11.910 1.00 0.00 C ATOM 1520 CG GLU A 100 -15.048 6.394 10.973 1.00 0.00 C ATOM 1521 CD GLU A 100 -16.384 6.087 11.622 1.00 0.00 C ATOM 1522 OE1 GLU A 100 -16.828 6.883 12.475 1.00 0.00 O ATOM 1523 OE2 GLU A 100 -16.986 5.049 11.275 1.00 0.00 O ATOM 0 H GLU A 100 -12.769 4.975 12.084 1.00 0.00 H new ATOM 0 HA GLU A 100 -12.485 7.413 10.519 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -14.228 6.730 12.920 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -14.364 8.176 11.939 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -15.211 7.003 10.084 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -14.587 5.464 10.641 1.00 0.00 H new ATOM 1530 N PRO A 101 -11.324 8.962 12.092 1.00 0.00 N ATOM 1531 CA PRO A 101 -10.477 9.823 12.923 1.00 0.00 C ATOM 1532 C PRO A 101 -11.223 10.382 14.129 1.00 0.00 C ATOM 1533 O PRO A 101 -12.449 10.498 14.131 1.00 0.00 O ATOM 1534 CB PRO A 101 -10.077 10.952 11.971 1.00 0.00 C ATOM 1535 CG PRO A 101 -11.168 10.998 10.957 1.00 0.00 C ATOM 1536 CD PRO A 101 -11.639 9.580 10.793 1.00 0.00 C ATOM 0 HA PRO A 101 -9.630 9.279 13.341 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -9.987 11.901 12.499 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -9.112 10.754 11.505 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -11.981 11.644 11.288 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -10.805 11.401 10.011 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -12.706 9.534 10.575 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.124 9.078 9.974 1.00 0.00 H new ATOM 1544 N PRO A 102 -10.470 10.737 15.180 1.00 0.00 N ATOM 1545 CA PRO A 102 -11.040 11.291 16.412 1.00 0.00 C ATOM 1546 C PRO A 102 -11.597 12.696 16.211 1.00 0.00 C ATOM 1547 O PRO A 102 -11.453 13.286 15.140 1.00 0.00 O ATOM 1548 CB PRO A 102 -9.848 11.321 17.372 1.00 0.00 C ATOM 1549 CG PRO A 102 -8.651 11.398 16.488 1.00 0.00 C ATOM 1550 CD PRO A 102 -9.003 10.627 15.246 1.00 0.00 C ATOM 0 HA PRO A 102 -11.881 10.700 16.774 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.901 12.179 18.042 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.821 10.429 17.998 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -8.408 12.433 16.249 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.776 10.971 16.978 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -8.528 11.052 14.361 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.681 9.588 15.313 1.00 0.00 H new