USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=17 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 1:sc= 0.024 USER MOD Set 1.2: A 85 CYS SG : rot 117:sc= 0.305 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 -17:sc= 0.569 USER MOD Single : A 47 THR OG1 : rot -10:sc= 1.08 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -82:sc= 0.37 USER MOD Single : A 62 GLN : amide:sc= -0.267 X(o=-0.27,f=-0.55) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.997 K(o=-1,f=-5.1!) USER MOD Single : A 80 SER OG : rot -50:sc= 1.03 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= -0.0147 USER MOD Single : A 93 SER OG : rot 160:sc= -0.0182 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 11.156 -14.021 -4.561 1.00 0.00 N ATOM 131 CA TRP A 13 11.325 -12.641 -5.002 1.00 0.00 C ATOM 132 C TRP A 13 11.170 -11.674 -3.834 1.00 0.00 C ATOM 133 O TRP A 13 12.066 -10.876 -3.555 1.00 0.00 O ATOM 134 CB TRP A 13 10.309 -12.306 -6.096 1.00 0.00 C ATOM 135 CG TRP A 13 10.693 -12.834 -7.445 1.00 0.00 C ATOM 136 CD1 TRP A 13 10.082 -13.841 -8.135 1.00 0.00 C ATOM 137 CD2 TRP A 13 11.776 -12.382 -8.265 1.00 0.00 C ATOM 138 NE1 TRP A 13 10.720 -14.043 -9.335 1.00 0.00 N ATOM 139 CE2 TRP A 13 11.762 -13.160 -9.439 1.00 0.00 C ATOM 140 CE3 TRP A 13 12.755 -11.395 -8.124 1.00 0.00 C ATOM 141 CZ2 TRP A 13 12.689 -12.981 -10.462 1.00 0.00 C ATOM 142 CZ3 TRP A 13 13.675 -11.219 -9.139 1.00 0.00 C ATOM 143 CH2 TRP A 13 13.637 -12.008 -10.297 1.00 0.00 C ATOM 0 HA TRP A 13 12.332 -12.535 -5.406 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.338 -12.714 -5.817 1.00 0.00 H new ATOM 0 HB3 TRP A 13 10.194 -11.224 -6.156 1.00 0.00 H new ATOM 0 HD1 TRP A 13 9.223 -14.397 -7.789 1.00 0.00 H new ATOM 0 HE1 TRP A 13 10.460 -14.738 -10.035 1.00 0.00 H new ATOM 0 HE3 TRP A 13 12.792 -10.780 -7.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 12.661 -13.589 -11.354 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 14.437 -10.460 -9.039 1.00 0.00 H new ATOM 0 HH2 TRP A 13 14.370 -11.845 -11.074 1.00 0.00 H new ATOM 154 N ILE A 14 10.031 -11.750 -3.155 1.00 0.00 N ATOM 155 CA ILE A 14 9.761 -10.881 -2.016 1.00 0.00 C ATOM 156 C ILE A 14 10.727 -11.161 -0.870 1.00 0.00 C ATOM 157 O ILE A 14 10.476 -12.024 -0.029 1.00 0.00 O ATOM 158 CB ILE A 14 8.317 -11.050 -1.508 1.00 0.00 C ATOM 159 CG1 ILE A 14 7.320 -10.723 -2.622 1.00 0.00 C ATOM 160 CG2 ILE A 14 8.075 -10.162 -0.296 1.00 0.00 C ATOM 161 CD1 ILE A 14 6.016 -11.481 -2.507 1.00 0.00 C ATOM 0 H ILE A 14 9.280 -12.404 -3.374 1.00 0.00 H new ATOM 0 HA ILE A 14 9.898 -9.856 -2.362 1.00 0.00 H new ATOM 0 HB ILE A 14 8.172 -12.088 -1.209 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.111 -9.653 -2.609 1.00 0.00 H new ATOM 0 HG13 ILE A 14 7.778 -10.947 -3.586 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.050 -10.292 0.052 1.00 0.00 H new ATOM 0 HG22 ILE A 14 8.766 -10.437 0.501 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.235 -9.119 -0.571 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.358 -11.200 -3.329 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.213 -12.552 -2.550 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.536 -11.238 -1.559 1.00 0.00 H new ATOM 173 N VAL A 15 11.834 -10.425 -0.842 1.00 0.00 N ATOM 174 CA VAL A 15 12.837 -10.592 0.203 1.00 0.00 C ATOM 175 C VAL A 15 12.327 -10.073 1.542 1.00 0.00 C ATOM 176 O VAL A 15 12.728 -10.558 2.601 1.00 0.00 O ATOM 177 CB VAL A 15 14.146 -9.862 -0.154 1.00 0.00 C ATOM 178 CG1 VAL A 15 13.941 -8.355 -0.125 1.00 0.00 C ATOM 179 CG2 VAL A 15 15.261 -10.275 0.794 1.00 0.00 C ATOM 0 H VAL A 15 12.059 -9.707 -1.531 1.00 0.00 H new ATOM 0 HA VAL A 15 13.036 -11.661 0.283 1.00 0.00 H new ATOM 0 HB VAL A 15 14.437 -10.146 -1.165 1.00 0.00 H new ATOM 0 HG11 VAL A 15 14.876 -7.856 -0.380 1.00 0.00 H new ATOM 0 HG12 VAL A 15 13.173 -8.078 -0.848 1.00 0.00 H new ATOM 0 HG13 VAL A 15 13.627 -8.050 0.873 1.00 0.00 H new ATOM 0 HG21 VAL A 15 16.178 -9.750 0.527 1.00 0.00 H new ATOM 0 HG22 VAL A 15 14.982 -10.021 1.817 1.00 0.00 H new ATOM 0 HG23 VAL A 15 15.423 -11.350 0.718 1.00 0.00 H new ATOM 189 N TYR A 16 11.440 -9.086 1.489 1.00 0.00 N ATOM 190 CA TYR A 16 10.876 -8.499 2.699 1.00 0.00 C ATOM 191 C TYR A 16 9.644 -7.660 2.374 1.00 0.00 C ATOM 192 O TYR A 16 9.556 -7.020 1.326 1.00 0.00 O ATOM 193 CB TYR A 16 11.922 -7.637 3.408 1.00 0.00 C ATOM 194 CG TYR A 16 11.327 -6.628 4.364 1.00 0.00 C ATOM 195 CD1 TYR A 16 10.586 -5.550 3.895 1.00 0.00 C ATOM 196 CD2 TYR A 16 11.506 -6.751 5.736 1.00 0.00 C ATOM 197 CE1 TYR A 16 10.041 -4.625 4.764 1.00 0.00 C ATOM 198 CE2 TYR A 16 10.964 -5.832 6.613 1.00 0.00 C ATOM 199 CZ TYR A 16 10.232 -4.770 6.122 1.00 0.00 C ATOM 200 OH TYR A 16 9.691 -3.852 6.992 1.00 0.00 O ATOM 0 H TYR A 16 11.096 -8.675 0.621 1.00 0.00 H new ATOM 0 HA TYR A 16 10.576 -9.311 3.361 1.00 0.00 H new ATOM 0 HB2 TYR A 16 12.605 -8.286 3.956 1.00 0.00 H new ATOM 0 HB3 TYR A 16 12.515 -7.111 2.660 1.00 0.00 H new ATOM 0 HD1 TYR A 16 10.434 -5.433 2.832 1.00 0.00 H new ATOM 0 HD2 TYR A 16 12.079 -7.580 6.124 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.468 -3.793 4.382 1.00 0.00 H new ATOM 0 HE2 TYR A 16 11.112 -5.944 7.677 1.00 0.00 H new ATOM 0 HH TYR A 16 9.918 -4.101 7.912 1.00 0.00 H new ATOM 210 N PRO A 17 8.669 -7.662 3.295 1.00 0.00 N ATOM 211 CA PRO A 17 8.763 -8.420 4.546 1.00 0.00 C ATOM 212 C PRO A 17 8.684 -9.926 4.318 1.00 0.00 C ATOM 213 O PRO A 17 8.277 -10.381 3.249 1.00 0.00 O ATOM 214 CB PRO A 17 7.550 -7.937 5.345 1.00 0.00 C ATOM 215 CG PRO A 17 6.577 -7.477 4.316 1.00 0.00 C ATOM 216 CD PRO A 17 7.399 -6.924 3.185 1.00 0.00 C ATOM 0 HA PRO A 17 9.716 -8.258 5.050 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.133 -8.739 5.954 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.820 -7.128 6.024 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.950 -8.301 3.976 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.910 -6.716 4.722 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.919 -7.091 2.220 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.549 -5.849 3.285 1.00 0.00 H new ATOM 224 N SER A 18 9.078 -10.694 5.329 1.00 0.00 N ATOM 225 CA SER A 18 9.055 -12.149 5.237 1.00 0.00 C ATOM 226 C SER A 18 7.919 -12.729 6.075 1.00 0.00 C ATOM 227 O SER A 18 8.153 -13.429 7.059 1.00 0.00 O ATOM 228 CB SER A 18 10.392 -12.731 5.699 1.00 0.00 C ATOM 229 OG SER A 18 10.559 -14.059 5.232 1.00 0.00 O ATOM 0 H SER A 18 9.417 -10.333 6.221 1.00 0.00 H new ATOM 0 HA SER A 18 8.889 -12.420 4.194 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.209 -12.108 5.334 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.442 -12.716 6.788 1.00 0.00 H new ATOM 0 HG SER A 18 11.422 -14.408 5.539 1.00 0.00 H new ATOM 235 N GLY A 19 6.686 -12.431 5.676 1.00 0.00 N ATOM 236 CA GLY A 19 5.531 -12.929 6.400 1.00 0.00 C ATOM 237 C GLY A 19 4.364 -11.963 6.365 1.00 0.00 C ATOM 238 O GLY A 19 4.225 -11.178 5.426 1.00 0.00 O ATOM 0 H GLY A 19 6.467 -11.854 4.864 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.222 -13.883 5.973 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.810 -13.119 7.436 1.00 0.00 H new ATOM 242 N LYS A 20 3.520 -12.020 7.389 1.00 0.00 N ATOM 243 CA LYS A 20 2.357 -11.144 7.473 1.00 0.00 C ATOM 244 C LYS A 20 2.738 -9.789 8.061 1.00 0.00 C ATOM 245 O LYS A 20 3.623 -9.697 8.911 1.00 0.00 O ATOM 246 CB LYS A 20 1.265 -11.793 8.326 1.00 0.00 C ATOM 247 CG LYS A 20 0.435 -12.819 7.574 1.00 0.00 C ATOM 248 CD LYS A 20 -0.770 -12.179 6.904 1.00 0.00 C ATOM 249 CE LYS A 20 -1.943 -12.060 7.864 1.00 0.00 C ATOM 250 NZ LYS A 20 -3.205 -11.704 7.157 1.00 0.00 N ATOM 0 H LYS A 20 3.619 -12.664 8.173 1.00 0.00 H new ATOM 0 HA LYS A 20 1.977 -10.988 6.463 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.727 -12.273 9.189 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.605 -11.015 8.710 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.054 -13.308 6.822 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.100 -13.594 8.264 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.499 -11.190 6.534 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.065 -12.773 6.039 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.077 -13.004 8.393 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.722 -11.302 8.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.981 -11.632 7.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.086 -10.791 6.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.430 -12.440 6.457 1.00 0.00 H new ATOM 264 N VAL A 21 2.063 -8.740 7.603 1.00 0.00 N ATOM 265 CA VAL A 21 2.329 -7.390 8.085 1.00 0.00 C ATOM 266 C VAL A 21 1.032 -6.647 8.383 1.00 0.00 C ATOM 267 O VAL A 21 0.165 -6.518 7.518 1.00 0.00 O ATOM 268 CB VAL A 21 3.149 -6.580 7.063 1.00 0.00 C ATOM 269 CG1 VAL A 21 3.345 -5.151 7.547 1.00 0.00 C ATOM 270 CG2 VAL A 21 4.488 -7.252 6.802 1.00 0.00 C ATOM 0 H VAL A 21 1.328 -8.799 6.899 1.00 0.00 H new ATOM 0 HA VAL A 21 2.906 -7.491 9.004 1.00 0.00 H new ATOM 0 HB VAL A 21 2.596 -6.547 6.124 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.926 -4.594 6.812 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.373 -4.675 7.677 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.876 -5.159 8.499 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.054 -6.666 6.078 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.050 -7.318 7.734 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.321 -8.254 6.407 1.00 0.00 H new ATOM 280 N TYR A 22 0.905 -6.159 9.612 1.00 0.00 N ATOM 281 CA TYR A 22 -0.289 -5.430 10.025 1.00 0.00 C ATOM 282 C TYR A 22 -0.040 -3.924 10.009 1.00 0.00 C ATOM 283 O TYR A 22 1.012 -3.452 10.441 1.00 0.00 O ATOM 284 CB TYR A 22 -0.723 -5.871 11.424 1.00 0.00 C ATOM 285 CG TYR A 22 -1.484 -7.177 11.437 1.00 0.00 C ATOM 286 CD1 TYR A 22 -0.953 -8.320 10.851 1.00 0.00 C ATOM 287 CD2 TYR A 22 -2.734 -7.269 12.038 1.00 0.00 C ATOM 288 CE1 TYR A 22 -1.646 -9.515 10.860 1.00 0.00 C ATOM 289 CE2 TYR A 22 -3.433 -8.461 12.053 1.00 0.00 C ATOM 290 CZ TYR A 22 -2.885 -9.581 11.463 1.00 0.00 C ATOM 291 OH TYR A 22 -3.577 -10.770 11.476 1.00 0.00 O ATOM 0 H TYR A 22 1.614 -6.255 10.339 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.086 -5.657 9.316 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.160 -5.968 12.056 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.346 -5.093 11.865 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.018 -8.273 10.381 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.166 -6.394 12.501 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.220 -10.393 10.397 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -4.403 -8.515 12.524 1.00 0.00 H new ATOM 0 HH TYR A 22 -4.431 -10.646 11.941 1.00 0.00 H new ATOM 301 N VAL A 23 -1.017 -3.175 9.508 1.00 0.00 N ATOM 302 CA VAL A 23 -0.907 -1.723 9.436 1.00 0.00 C ATOM 303 C VAL A 23 -2.254 -1.057 9.694 1.00 0.00 C ATOM 304 O VAL A 23 -3.255 -1.391 9.061 1.00 0.00 O ATOM 305 CB VAL A 23 -0.376 -1.268 8.064 1.00 0.00 C ATOM 306 CG1 VAL A 23 -0.280 0.249 8.005 1.00 0.00 C ATOM 307 CG2 VAL A 23 0.975 -1.906 7.778 1.00 0.00 C ATOM 0 H VAL A 23 -1.894 -3.550 9.146 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.201 -1.420 10.209 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.077 -1.595 7.296 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.097 0.552 7.028 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.267 0.682 8.163 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.399 0.601 8.781 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.336 -1.574 6.805 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.687 -1.611 8.549 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.872 -2.991 7.775 1.00 0.00 H new ATOM 317 N ALA A 24 -2.271 -0.111 10.628 1.00 0.00 N ATOM 318 CA ALA A 24 -3.494 0.605 10.968 1.00 0.00 C ATOM 319 C ALA A 24 -3.482 2.016 10.392 1.00 0.00 C ATOM 320 O ALA A 24 -2.518 2.761 10.568 1.00 0.00 O ATOM 321 CB ALA A 24 -3.676 0.650 12.478 1.00 0.00 C ATOM 0 H ALA A 24 -1.451 0.177 11.162 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.335 0.069 10.528 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.593 1.188 12.718 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.739 -0.366 12.867 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.827 1.161 12.932 1.00 0.00 H new ATOM 327 N ALA A 25 -4.559 2.378 9.702 1.00 0.00 N ATOM 328 CA ALA A 25 -4.673 3.701 9.101 1.00 0.00 C ATOM 329 C ALA A 25 -6.018 4.339 9.429 1.00 0.00 C ATOM 330 O ALA A 25 -6.870 3.722 10.069 1.00 0.00 O ATOM 331 CB ALA A 25 -4.481 3.614 7.594 1.00 0.00 C ATOM 0 H ALA A 25 -5.365 1.773 9.546 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.890 4.332 9.520 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.569 4.609 7.158 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.493 3.208 7.376 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.243 2.962 7.167 1.00 0.00 H new ATOM 337 N VAL A 26 -6.203 5.580 8.988 1.00 0.00 N ATOM 338 CA VAL A 26 -7.445 6.302 9.234 1.00 0.00 C ATOM 339 C VAL A 26 -7.960 6.960 7.959 1.00 0.00 C ATOM 340 O VAL A 26 -7.193 7.235 7.037 1.00 0.00 O ATOM 341 CB VAL A 26 -7.261 7.380 10.318 1.00 0.00 C ATOM 342 CG1 VAL A 26 -8.576 7.645 11.037 1.00 0.00 C ATOM 343 CG2 VAL A 26 -6.179 6.966 11.304 1.00 0.00 C ATOM 0 H VAL A 26 -5.508 6.106 8.458 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.174 5.570 9.581 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.945 8.305 9.835 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.426 8.409 11.799 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.320 7.989 10.319 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.925 6.726 11.508 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.063 7.740 12.063 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.462 6.028 11.782 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.236 6.833 10.774 1.00 0.00 H new ATOM 353 N ARG A 27 -9.264 7.212 7.915 1.00 0.00 N ATOM 354 CA ARG A 27 -9.883 7.838 6.753 1.00 0.00 C ATOM 355 C ARG A 27 -9.045 9.014 6.259 1.00 0.00 C ATOM 356 O ARG A 27 -8.845 9.993 6.978 1.00 0.00 O ATOM 357 CB ARG A 27 -11.296 8.312 7.094 1.00 0.00 C ATOM 358 CG ARG A 27 -11.986 9.041 5.953 1.00 0.00 C ATOM 359 CD ARG A 27 -13.493 8.839 5.993 1.00 0.00 C ATOM 360 NE ARG A 27 -14.214 9.986 5.446 1.00 0.00 N ATOM 361 CZ ARG A 27 -14.459 11.096 6.133 1.00 0.00 C ATOM 362 NH1 ARG A 27 -14.044 11.209 7.387 1.00 0.00 N ATOM 363 NH2 ARG A 27 -15.121 12.096 5.565 1.00 0.00 N ATOM 0 H ARG A 27 -9.913 6.992 8.671 1.00 0.00 H new ATOM 0 HA ARG A 27 -9.939 7.095 5.958 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -11.899 7.451 7.381 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -11.250 8.972 7.960 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -11.759 10.106 6.010 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -11.595 8.682 5.001 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -13.754 7.944 5.428 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -13.809 8.670 7.022 1.00 0.00 H new ATOM 0 HE ARG A 27 -14.548 9.931 4.484 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -13.535 10.442 7.827 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -14.234 12.063 7.912 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -15.442 12.012 4.600 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -15.309 12.948 6.093 1.00 0.00 H new ATOM 377 N LEU A 28 -8.558 8.910 5.027 1.00 0.00 N ATOM 378 CA LEU A 28 -7.741 9.965 4.436 1.00 0.00 C ATOM 379 C LEU A 28 -6.407 10.092 5.164 1.00 0.00 C ATOM 380 O LEU A 28 -5.885 11.194 5.334 1.00 0.00 O ATOM 381 CB LEU A 28 -8.488 11.299 4.478 1.00 0.00 C ATOM 382 CG LEU A 28 -9.936 11.274 3.988 1.00 0.00 C ATOM 383 CD1 LEU A 28 -10.638 12.579 4.330 1.00 0.00 C ATOM 384 CD2 LEU A 28 -9.987 11.015 2.489 1.00 0.00 C ATOM 0 H LEU A 28 -8.714 8.107 4.418 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.543 9.700 3.398 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.479 11.665 5.505 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.935 12.021 3.877 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.457 10.462 4.495 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.667 12.543 3.973 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.633 12.723 5.411 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.117 13.408 3.851 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.025 11.000 2.157 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.450 11.805 1.965 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.523 10.053 2.270 1.00 0.00 H new ATOM 396 N GLU A 29 -5.860 8.958 5.590 1.00 0.00 N ATOM 397 CA GLU A 29 -4.585 8.944 6.298 1.00 0.00 C ATOM 398 C GLU A 29 -3.432 8.669 5.337 1.00 0.00 C ATOM 399 O GLU A 29 -3.631 8.120 4.253 1.00 0.00 O ATOM 400 CB GLU A 29 -4.603 7.889 7.406 1.00 0.00 C ATOM 401 CG GLU A 29 -3.305 7.808 8.191 1.00 0.00 C ATOM 402 CD GLU A 29 -3.023 9.069 8.984 1.00 0.00 C ATOM 403 OE1 GLU A 29 -3.869 9.446 9.821 1.00 0.00 O ATOM 404 OE2 GLU A 29 -1.956 9.680 8.766 1.00 0.00 O ATOM 0 H GLU A 29 -6.279 8.038 5.457 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.436 9.927 6.745 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.420 8.110 8.093 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.812 6.915 6.965 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.349 6.958 8.871 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.480 7.624 7.503 1.00 0.00 H new ATOM 411 N ARG A 30 -2.227 9.055 5.743 1.00 0.00 N ATOM 412 CA ARG A 30 -1.042 8.852 4.918 1.00 0.00 C ATOM 413 C ARG A 30 -0.254 7.634 5.389 1.00 0.00 C ATOM 414 O ARG A 30 0.513 7.711 6.349 1.00 0.00 O ATOM 415 CB ARG A 30 -0.150 10.095 4.954 1.00 0.00 C ATOM 416 CG ARG A 30 1.100 9.972 4.099 1.00 0.00 C ATOM 417 CD ARG A 30 2.161 9.123 4.781 1.00 0.00 C ATOM 418 NE ARG A 30 3.504 9.432 4.299 1.00 0.00 N ATOM 419 CZ ARG A 30 4.226 10.457 4.740 1.00 0.00 C ATOM 420 NH1 ARG A 30 3.736 11.266 5.669 1.00 0.00 N ATOM 421 NH2 ARG A 30 5.440 10.673 4.251 1.00 0.00 N ATOM 0 H ARG A 30 -2.045 9.510 6.638 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.369 8.678 3.893 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.727 10.956 4.617 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.143 10.292 5.985 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.842 9.530 3.137 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.502 10.965 3.896 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.117 9.284 5.858 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.948 8.068 4.608 1.00 0.00 H new ATOM 0 HE ARG A 30 3.911 8.828 3.585 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.803 11.102 6.047 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.292 12.052 6.006 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.820 10.052 3.536 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.994 11.460 4.590 1.00 0.00 H new ATOM 435 N VAL A 31 -0.448 6.509 4.707 1.00 0.00 N ATOM 436 CA VAL A 31 0.244 5.275 5.055 1.00 0.00 C ATOM 437 C VAL A 31 1.447 5.044 4.147 1.00 0.00 C ATOM 438 O VAL A 31 1.524 5.596 3.049 1.00 0.00 O ATOM 439 CB VAL A 31 -0.696 4.058 4.963 1.00 0.00 C ATOM 440 CG1 VAL A 31 -1.907 4.250 5.863 1.00 0.00 C ATOM 441 CG2 VAL A 31 -1.124 3.825 3.522 1.00 0.00 C ATOM 0 H VAL A 31 -1.079 6.428 3.910 1.00 0.00 H new ATOM 0 HA VAL A 31 0.585 5.384 6.085 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.155 3.175 5.305 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.560 3.381 5.785 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.578 4.365 6.896 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.452 5.142 5.554 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.788 2.962 3.475 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.648 4.706 3.151 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.244 3.640 2.906 1.00 0.00 H new ATOM 451 N VAL A 32 2.384 4.224 4.612 1.00 0.00 N ATOM 452 CA VAL A 32 3.583 3.918 3.840 1.00 0.00 C ATOM 453 C VAL A 32 3.963 2.448 3.975 1.00 0.00 C ATOM 454 O VAL A 32 4.428 2.009 5.027 1.00 0.00 O ATOM 455 CB VAL A 32 4.774 4.787 4.286 1.00 0.00 C ATOM 456 CG1 VAL A 32 6.035 4.394 3.532 1.00 0.00 C ATOM 457 CG2 VAL A 32 4.462 6.263 4.086 1.00 0.00 C ATOM 0 H VAL A 32 2.336 3.760 5.519 1.00 0.00 H new ATOM 0 HA VAL A 32 3.353 4.137 2.797 1.00 0.00 H new ATOM 0 HB VAL A 32 4.947 4.616 5.349 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.865 5.019 3.861 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.267 3.348 3.732 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.878 4.533 2.462 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.315 6.862 4.406 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.261 6.453 3.032 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.587 6.533 4.677 1.00 0.00 H new ATOM 467 N LEU A 33 3.762 1.691 2.902 1.00 0.00 N ATOM 468 CA LEU A 33 4.083 0.268 2.898 1.00 0.00 C ATOM 469 C LEU A 33 5.532 0.038 2.481 1.00 0.00 C ATOM 470 O LEU A 33 6.046 0.709 1.584 1.00 0.00 O ATOM 471 CB LEU A 33 3.143 -0.485 1.956 1.00 0.00 C ATOM 472 CG LEU A 33 1.876 -1.060 2.590 1.00 0.00 C ATOM 473 CD1 LEU A 33 1.224 -0.034 3.504 1.00 0.00 C ATOM 474 CD2 LEU A 33 0.900 -1.514 1.514 1.00 0.00 C ATOM 0 H LEU A 33 3.378 2.039 2.023 1.00 0.00 H new ATOM 0 HA LEU A 33 3.951 -0.112 3.911 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.849 0.190 1.153 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.699 -1.303 1.498 1.00 0.00 H new ATOM 0 HG LEU A 33 2.154 -1.927 3.190 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.324 -0.461 3.946 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.921 0.243 4.295 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.960 0.852 2.926 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.004 -1.920 1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.628 -0.664 0.888 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.368 -2.283 0.899 1.00 0.00 H new ATOM 486 N THR A 34 6.187 -0.916 3.134 1.00 0.00 N ATOM 487 CA THR A 34 7.576 -1.236 2.831 1.00 0.00 C ATOM 488 C THR A 34 7.703 -2.639 2.250 1.00 0.00 C ATOM 489 O THR A 34 7.280 -3.617 2.867 1.00 0.00 O ATOM 490 CB THR A 34 8.465 -1.129 4.085 1.00 0.00 C ATOM 491 OG1 THR A 34 8.170 0.080 4.792 1.00 0.00 O ATOM 492 CG2 THR A 34 9.938 -1.156 3.708 1.00 0.00 C ATOM 0 H THR A 34 5.777 -1.481 3.877 1.00 0.00 H new ATOM 0 HA THR A 34 7.913 -0.508 2.093 1.00 0.00 H new ATOM 0 HB THR A 34 8.255 -1.985 4.727 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.738 0.140 5.589 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.546 -1.079 4.610 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.165 -2.091 3.196 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.160 -0.317 3.048 1.00 0.00 H new ATOM 500 N CYS A 35 8.288 -2.731 1.060 1.00 0.00 N ATOM 501 CA CYS A 35 8.471 -4.017 0.396 1.00 0.00 C ATOM 502 C CYS A 35 9.805 -4.063 -0.342 1.00 0.00 C ATOM 503 O CYS A 35 10.003 -3.357 -1.329 1.00 0.00 O ATOM 504 CB CYS A 35 7.324 -4.276 -0.582 1.00 0.00 C ATOM 505 SG CYS A 35 6.977 -6.028 -0.865 1.00 0.00 S ATOM 0 H CYS A 35 8.643 -1.931 0.536 1.00 0.00 H new ATOM 0 HA CYS A 35 8.472 -4.796 1.159 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.422 -3.795 -0.204 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.561 -3.805 -1.536 1.00 0.00 H new ATOM 0 HG CYS A 35 7.786 -6.752 -0.150 1.00 0.00 H new ATOM 511 N GLU A 36 10.717 -4.898 0.147 1.00 0.00 N ATOM 512 CA GLU A 36 12.033 -5.034 -0.466 1.00 0.00 C ATOM 513 C GLU A 36 12.067 -6.219 -1.426 1.00 0.00 C ATOM 514 O GLU A 36 11.247 -7.133 -1.331 1.00 0.00 O ATOM 515 CB GLU A 36 13.106 -5.205 0.612 1.00 0.00 C ATOM 516 CG GLU A 36 14.514 -4.913 0.121 1.00 0.00 C ATOM 517 CD GLU A 36 15.424 -4.409 1.224 1.00 0.00 C ATOM 518 OE1 GLU A 36 14.937 -3.670 2.105 1.00 0.00 O ATOM 519 OE2 GLU A 36 16.624 -4.755 1.207 1.00 0.00 O ATOM 0 H GLU A 36 10.569 -5.489 0.965 1.00 0.00 H new ATOM 0 HA GLU A 36 12.238 -4.125 -1.032 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.878 -4.544 1.448 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.067 -6.226 0.993 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.940 -5.819 -0.310 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.470 -4.171 -0.676 1.00 0.00 H new ATOM 526 N LEU A 37 13.021 -6.197 -2.350 1.00 0.00 N ATOM 527 CA LEU A 37 13.163 -7.269 -3.329 1.00 0.00 C ATOM 528 C LEU A 37 14.605 -7.765 -3.389 1.00 0.00 C ATOM 529 O LEU A 37 15.539 -7.026 -3.075 1.00 0.00 O ATOM 530 CB LEU A 37 12.720 -6.786 -4.711 1.00 0.00 C ATOM 531 CG LEU A 37 11.334 -6.146 -4.786 1.00 0.00 C ATOM 532 CD1 LEU A 37 11.047 -5.657 -6.197 1.00 0.00 C ATOM 533 CD2 LEU A 37 10.266 -7.132 -4.334 1.00 0.00 C ATOM 0 H LEU A 37 13.708 -5.449 -2.442 1.00 0.00 H new ATOM 0 HA LEU A 37 12.526 -8.097 -3.019 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.452 -6.064 -5.073 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.744 -7.634 -5.395 1.00 0.00 H new ATOM 0 HG LEU A 37 11.315 -5.287 -4.115 1.00 0.00 H new ATOM 0 HD11 LEU A 37 10.056 -5.204 -6.231 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.794 -4.917 -6.485 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.085 -6.499 -6.889 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.286 -6.659 -4.394 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.285 -8.010 -4.979 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.461 -7.433 -3.305 1.00 0.00 H new ATOM 545 N CYS A 38 14.778 -9.017 -3.795 1.00 0.00 N ATOM 546 CA CYS A 38 16.106 -9.611 -3.898 1.00 0.00 C ATOM 547 C CYS A 38 16.889 -8.997 -5.053 1.00 0.00 C ATOM 548 O CYS A 38 18.114 -9.105 -5.114 1.00 0.00 O ATOM 549 CB CYS A 38 15.997 -11.125 -4.088 1.00 0.00 C ATOM 550 SG CYS A 38 17.561 -11.931 -4.506 1.00 0.00 S ATOM 0 H CYS A 38 14.015 -9.641 -4.058 1.00 0.00 H new ATOM 0 HA CYS A 38 16.641 -9.406 -2.971 1.00 0.00 H new ATOM 0 HB2 CYS A 38 15.606 -11.568 -3.172 1.00 0.00 H new ATOM 0 HB3 CYS A 38 15.273 -11.330 -4.876 1.00 0.00 H new ATOM 0 HG CYS A 38 18.415 -11.038 -4.910 1.00 0.00 H new ATOM 556 N ARG A 39 16.173 -8.352 -5.969 1.00 0.00 N ATOM 557 CA ARG A 39 16.801 -7.722 -7.125 1.00 0.00 C ATOM 558 C ARG A 39 16.260 -6.311 -7.335 1.00 0.00 C ATOM 559 O ARG A 39 15.088 -6.025 -7.088 1.00 0.00 O ATOM 560 CB ARG A 39 16.565 -8.563 -8.381 1.00 0.00 C ATOM 561 CG ARG A 39 17.221 -9.933 -8.329 1.00 0.00 C ATOM 562 CD ARG A 39 18.722 -9.824 -8.105 1.00 0.00 C ATOM 563 NE ARG A 39 19.365 -8.983 -9.111 1.00 0.00 N ATOM 564 CZ ARG A 39 20.524 -8.362 -8.917 1.00 0.00 C ATOM 565 NH1 ARG A 39 21.162 -8.488 -7.762 1.00 0.00 N ATOM 566 NH2 ARG A 39 21.046 -7.614 -9.881 1.00 0.00 N ATOM 0 H ARG A 39 15.159 -8.252 -5.933 1.00 0.00 H new ATOM 0 HA ARG A 39 17.872 -7.657 -6.936 1.00 0.00 H new ATOM 0 HB2 ARG A 39 15.492 -8.689 -8.528 1.00 0.00 H new ATOM 0 HB3 ARG A 39 16.944 -8.021 -9.247 1.00 0.00 H new ATOM 0 HG2 ARG A 39 16.774 -10.521 -7.528 1.00 0.00 H new ATOM 0 HG3 ARG A 39 17.029 -10.465 -9.261 1.00 0.00 H new ATOM 0 HD2 ARG A 39 18.912 -9.413 -7.114 1.00 0.00 H new ATOM 0 HD3 ARG A 39 19.165 -10.820 -8.127 1.00 0.00 H new ATOM 0 HE ARG A 39 18.900 -8.866 -10.011 1.00 0.00 H new ATOM 0 HH11 ARG A 39 20.764 -9.063 -7.019 1.00 0.00 H new ATOM 0 HH12 ARG A 39 22.051 -8.010 -7.616 1.00 0.00 H new ATOM 0 HH21 ARG A 39 20.558 -7.516 -10.771 1.00 0.00 H new ATOM 0 HH22 ARG A 39 21.935 -7.138 -9.732 1.00 0.00 H new ATOM 580 N PRO A 40 17.133 -5.406 -7.802 1.00 0.00 N ATOM 581 CA PRO A 40 16.766 -4.010 -8.057 1.00 0.00 C ATOM 582 C PRO A 40 15.827 -3.865 -9.250 1.00 0.00 C ATOM 583 O PRO A 40 14.777 -3.230 -9.152 1.00 0.00 O ATOM 584 CB PRO A 40 18.109 -3.337 -8.348 1.00 0.00 C ATOM 585 CG PRO A 40 18.982 -4.436 -8.848 1.00 0.00 C ATOM 586 CD PRO A 40 18.545 -5.676 -8.119 1.00 0.00 C ATOM 0 HA PRO A 40 16.227 -3.571 -7.217 1.00 0.00 H new ATOM 0 HB2 PRO A 40 18.003 -2.546 -9.091 1.00 0.00 H new ATOM 0 HB3 PRO A 40 18.525 -2.878 -7.451 1.00 0.00 H new ATOM 0 HG2 PRO A 40 18.876 -4.559 -9.926 1.00 0.00 H new ATOM 0 HG3 PRO A 40 20.032 -4.219 -8.654 1.00 0.00 H new ATOM 0 HD2 PRO A 40 18.655 -6.566 -8.739 1.00 0.00 H new ATOM 0 HD3 PRO A 40 19.135 -5.841 -7.217 1.00 0.00 H new ATOM 594 N TRP A 41 16.212 -4.458 -10.374 1.00 0.00 N ATOM 595 CA TRP A 41 15.404 -4.394 -11.587 1.00 0.00 C ATOM 596 C TRP A 41 14.291 -5.436 -11.554 1.00 0.00 C ATOM 597 O TRP A 41 14.000 -6.078 -12.562 1.00 0.00 O ATOM 598 CB TRP A 41 16.282 -4.606 -12.821 1.00 0.00 C ATOM 599 CG TRP A 41 17.465 -5.489 -12.564 1.00 0.00 C ATOM 600 CD1 TRP A 41 18.743 -5.089 -12.296 1.00 0.00 C ATOM 601 CD2 TRP A 41 17.481 -6.920 -12.552 1.00 0.00 C ATOM 602 NE1 TRP A 41 19.552 -6.185 -12.118 1.00 0.00 N ATOM 603 CE2 TRP A 41 18.801 -7.321 -12.270 1.00 0.00 C ATOM 604 CE3 TRP A 41 16.507 -7.903 -12.751 1.00 0.00 C ATOM 605 CZ2 TRP A 41 19.170 -8.661 -12.183 1.00 0.00 C ATOM 606 CZ3 TRP A 41 16.875 -9.232 -12.665 1.00 0.00 C ATOM 607 CH2 TRP A 41 18.197 -9.601 -12.382 1.00 0.00 C ATOM 0 H TRP A 41 17.078 -4.988 -10.471 1.00 0.00 H new ATOM 0 HA TRP A 41 14.949 -3.405 -11.640 1.00 0.00 H new ATOM 0 HB2 TRP A 41 15.678 -5.042 -13.617 1.00 0.00 H new ATOM 0 HB3 TRP A 41 16.631 -3.638 -13.180 1.00 0.00 H new ATOM 0 HD1 TRP A 41 19.070 -4.062 -12.233 1.00 0.00 H new ATOM 0 HE1 TRP A 41 20.550 -6.158 -11.907 1.00 0.00 H new ATOM 0 HE3 TRP A 41 15.485 -7.628 -12.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 20.188 -8.948 -11.966 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 16.131 -10.000 -12.819 1.00 0.00 H new ATOM 0 HH2 TRP A 41 18.452 -10.649 -12.320 1.00 0.00 H new ATOM 618 N ALA A 42 13.673 -5.599 -10.389 1.00 0.00 N ATOM 619 CA ALA A 42 12.590 -6.562 -10.226 1.00 0.00 C ATOM 620 C ALA A 42 11.230 -5.878 -10.312 1.00 0.00 C ATOM 621 O ALA A 42 10.886 -5.053 -9.467 1.00 0.00 O ATOM 622 CB ALA A 42 12.731 -7.296 -8.901 1.00 0.00 C ATOM 0 H ALA A 42 13.904 -5.077 -9.544 1.00 0.00 H new ATOM 0 HA ALA A 42 12.655 -7.286 -11.038 1.00 0.00 H new ATOM 0 HB1 ALA A 42 11.916 -8.011 -8.793 1.00 0.00 H new ATOM 0 HB2 ALA A 42 13.684 -7.825 -8.878 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.695 -6.578 -8.082 1.00 0.00 H new ATOM 628 N GLU A 43 10.462 -6.227 -11.340 1.00 0.00 N ATOM 629 CA GLU A 43 9.139 -5.644 -11.536 1.00 0.00 C ATOM 630 C GLU A 43 8.105 -6.332 -10.649 1.00 0.00 C ATOM 631 O GLU A 43 8.040 -7.560 -10.590 1.00 0.00 O ATOM 632 CB GLU A 43 8.722 -5.753 -13.004 1.00 0.00 C ATOM 633 CG GLU A 43 8.525 -7.184 -13.476 1.00 0.00 C ATOM 634 CD GLU A 43 8.752 -7.344 -14.966 1.00 0.00 C ATOM 635 OE1 GLU A 43 8.547 -6.360 -15.707 1.00 0.00 O ATOM 636 OE2 GLU A 43 9.135 -8.454 -15.392 1.00 0.00 O ATOM 0 H GLU A 43 10.732 -6.909 -12.049 1.00 0.00 H new ATOM 0 HA GLU A 43 9.188 -4.591 -11.257 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.795 -5.200 -13.152 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.480 -5.276 -13.625 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.210 -7.838 -12.936 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.514 -7.508 -13.230 1.00 0.00 H new ATOM 643 N VAL A 44 7.298 -5.531 -9.961 1.00 0.00 N ATOM 644 CA VAL A 44 6.267 -6.061 -9.077 1.00 0.00 C ATOM 645 C VAL A 44 4.901 -5.470 -9.410 1.00 0.00 C ATOM 646 O VAL A 44 4.793 -4.551 -10.222 1.00 0.00 O ATOM 647 CB VAL A 44 6.591 -5.773 -7.599 1.00 0.00 C ATOM 648 CG1 VAL A 44 7.985 -6.274 -7.251 1.00 0.00 C ATOM 649 CG2 VAL A 44 6.461 -4.286 -7.305 1.00 0.00 C ATOM 0 H VAL A 44 7.338 -4.512 -9.999 1.00 0.00 H new ATOM 0 HA VAL A 44 6.242 -7.140 -9.232 1.00 0.00 H new ATOM 0 HB VAL A 44 5.873 -6.307 -6.977 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.197 -6.062 -6.203 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.038 -7.349 -7.422 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.720 -5.770 -7.879 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.693 -4.101 -6.256 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.155 -3.729 -7.934 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.441 -3.962 -7.513 1.00 0.00 H new ATOM 659 N ARG A 45 3.861 -6.004 -8.778 1.00 0.00 N ATOM 660 CA ARG A 45 2.502 -5.530 -9.008 1.00 0.00 C ATOM 661 C ARG A 45 1.628 -5.769 -7.780 1.00 0.00 C ATOM 662 O ARG A 45 1.574 -6.879 -7.251 1.00 0.00 O ATOM 663 CB ARG A 45 1.894 -6.230 -10.224 1.00 0.00 C ATOM 664 CG ARG A 45 0.377 -6.142 -10.283 1.00 0.00 C ATOM 665 CD ARG A 45 -0.180 -6.908 -11.472 1.00 0.00 C ATOM 666 NE ARG A 45 0.193 -8.320 -11.437 1.00 0.00 N ATOM 667 CZ ARG A 45 -0.502 -9.278 -12.040 1.00 0.00 C ATOM 668 NH1 ARG A 45 -1.599 -8.979 -12.720 1.00 0.00 N ATOM 669 NH2 ARG A 45 -0.098 -10.540 -11.962 1.00 0.00 N ATOM 0 H ARG A 45 3.934 -6.765 -8.103 1.00 0.00 H new ATOM 0 HA ARG A 45 2.545 -4.458 -9.199 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.310 -5.791 -11.131 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.188 -7.279 -10.213 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.048 -6.540 -9.361 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.074 -5.097 -10.348 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.266 -6.820 -11.483 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.185 -6.459 -12.396 1.00 0.00 H new ATOM 0 HE ARG A 45 1.033 -8.585 -10.922 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.913 -8.010 -12.782 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -2.130 -9.717 -13.182 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.746 -10.774 -11.439 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.632 -11.276 -12.425 1.00 0.00 H new ATOM 683 N TRP A 46 0.947 -4.721 -7.332 1.00 0.00 N ATOM 684 CA TRP A 46 0.076 -4.817 -6.166 1.00 0.00 C ATOM 685 C TRP A 46 -1.335 -5.226 -6.573 1.00 0.00 C ATOM 686 O TRP A 46 -1.872 -4.737 -7.568 1.00 0.00 O ATOM 687 CB TRP A 46 0.038 -3.482 -5.421 1.00 0.00 C ATOM 688 CG TRP A 46 1.380 -3.046 -4.915 1.00 0.00 C ATOM 689 CD1 TRP A 46 2.389 -2.486 -5.646 1.00 0.00 C ATOM 690 CD2 TRP A 46 1.859 -3.135 -3.569 1.00 0.00 C ATOM 691 NE1 TRP A 46 3.466 -2.222 -4.835 1.00 0.00 N ATOM 692 CE2 TRP A 46 3.166 -2.610 -3.556 1.00 0.00 C ATOM 693 CE3 TRP A 46 1.310 -3.605 -2.373 1.00 0.00 C ATOM 694 CZ2 TRP A 46 3.930 -2.545 -2.394 1.00 0.00 C ATOM 695 CZ3 TRP A 46 2.070 -3.540 -1.221 1.00 0.00 C ATOM 696 CH2 TRP A 46 3.368 -3.013 -1.237 1.00 0.00 C ATOM 0 H TRP A 46 0.981 -3.795 -7.758 1.00 0.00 H new ATOM 0 HA TRP A 46 0.480 -5.583 -5.504 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.359 -2.714 -6.085 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.651 -3.563 -4.580 1.00 0.00 H new ATOM 0 HD1 TRP A 46 2.346 -2.281 -6.706 1.00 0.00 H new ATOM 0 HE1 TRP A 46 4.347 -1.805 -5.136 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.310 -4.012 -2.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 4.931 -2.140 -2.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 1.656 -3.902 -0.291 1.00 0.00 H new ATOM 0 HH2 TRP A 46 3.936 -2.975 -0.319 1.00 0.00 H new ATOM 707 N THR A 47 -1.933 -6.126 -5.798 1.00 0.00 N ATOM 708 CA THR A 47 -3.282 -6.601 -6.079 1.00 0.00 C ATOM 709 C THR A 47 -4.159 -6.532 -4.834 1.00 0.00 C ATOM 710 O THR A 47 -3.797 -7.047 -3.777 1.00 0.00 O ATOM 711 CB THR A 47 -3.269 -8.049 -6.604 1.00 0.00 C ATOM 712 OG1 THR A 47 -2.541 -8.891 -5.703 1.00 0.00 O ATOM 713 CG2 THR A 47 -2.642 -8.117 -7.989 1.00 0.00 C ATOM 0 H THR A 47 -1.504 -6.540 -4.971 1.00 0.00 H new ATOM 0 HA THR A 47 -3.694 -5.947 -6.847 1.00 0.00 H new ATOM 0 HB THR A 47 -4.300 -8.397 -6.672 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.074 -8.337 -5.043 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.644 -9.149 -8.339 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.216 -7.499 -8.679 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.616 -7.752 -7.942 1.00 0.00 H new ATOM 721 N LYS A 48 -5.316 -5.893 -4.967 1.00 0.00 N ATOM 722 CA LYS A 48 -6.248 -5.757 -3.854 1.00 0.00 C ATOM 723 C LYS A 48 -7.396 -6.753 -3.981 1.00 0.00 C ATOM 724 O LYS A 48 -8.310 -6.563 -4.784 1.00 0.00 O ATOM 725 CB LYS A 48 -6.801 -4.331 -3.794 1.00 0.00 C ATOM 726 CG LYS A 48 -7.277 -3.920 -2.412 1.00 0.00 C ATOM 727 CD LYS A 48 -7.583 -2.433 -2.347 1.00 0.00 C ATOM 728 CE LYS A 48 -8.565 -2.115 -1.230 1.00 0.00 C ATOM 729 NZ LYS A 48 -9.973 -2.379 -1.637 1.00 0.00 N ATOM 0 H LYS A 48 -5.631 -5.461 -5.835 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.706 -5.969 -2.932 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.028 -3.637 -4.124 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.630 -4.242 -4.496 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.170 -4.488 -2.150 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.514 -4.168 -1.675 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.659 -1.877 -2.190 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.995 -2.103 -3.301 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.323 -2.714 -0.352 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.460 -1.069 -0.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.611 -2.150 -0.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.213 -1.789 -2.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.079 -3.383 -1.888 1.00 0.00 H new ATOM 743 N ASP A 49 -7.344 -7.814 -3.183 1.00 0.00 N ATOM 744 CA ASP A 49 -8.381 -8.839 -3.205 1.00 0.00 C ATOM 745 C ASP A 49 -8.433 -9.531 -4.563 1.00 0.00 C ATOM 746 O ASP A 49 -9.506 -9.887 -5.049 1.00 0.00 O ATOM 747 CB ASP A 49 -9.743 -8.224 -2.880 1.00 0.00 C ATOM 748 CG ASP A 49 -9.859 -7.808 -1.426 1.00 0.00 C ATOM 749 OD1 ASP A 49 -10.258 -8.652 -0.597 1.00 0.00 O ATOM 750 OD2 ASP A 49 -9.549 -6.638 -1.118 1.00 0.00 O ATOM 0 H ASP A 49 -6.595 -7.987 -2.513 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.137 -9.584 -2.447 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.908 -7.355 -3.518 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.528 -8.943 -3.113 1.00 0.00 H new ATOM 755 N GLY A 50 -7.266 -9.717 -5.172 1.00 0.00 N ATOM 756 CA GLY A 50 -7.201 -10.364 -6.470 1.00 0.00 C ATOM 757 C GLY A 50 -7.122 -9.370 -7.611 1.00 0.00 C ATOM 758 O GLY A 50 -6.489 -9.637 -8.632 1.00 0.00 O ATOM 0 H GLY A 50 -6.364 -9.431 -4.790 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.331 -11.019 -6.502 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.080 -10.995 -6.602 1.00 0.00 H new ATOM 762 N GLU A 51 -7.766 -8.220 -7.437 1.00 0.00 N ATOM 763 CA GLU A 51 -7.767 -7.183 -8.463 1.00 0.00 C ATOM 764 C GLU A 51 -6.443 -6.426 -8.473 1.00 0.00 C ATOM 765 O GLU A 51 -5.797 -6.272 -7.437 1.00 0.00 O ATOM 766 CB GLU A 51 -8.923 -6.208 -8.232 1.00 0.00 C ATOM 767 CG GLU A 51 -10.208 -6.609 -8.938 1.00 0.00 C ATOM 768 CD GLU A 51 -11.289 -5.552 -8.826 1.00 0.00 C ATOM 769 OE1 GLU A 51 -11.039 -4.400 -9.238 1.00 0.00 O ATOM 770 OE2 GLU A 51 -12.387 -5.877 -8.326 1.00 0.00 O ATOM 0 H GLU A 51 -8.293 -7.983 -6.597 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.896 -7.666 -9.432 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.115 -6.132 -7.162 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.625 -5.217 -8.573 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.996 -6.797 -9.991 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.574 -7.544 -8.515 1.00 0.00 H new ATOM 777 N GLU A 52 -6.045 -5.957 -9.651 1.00 0.00 N ATOM 778 CA GLU A 52 -4.796 -5.217 -9.796 1.00 0.00 C ATOM 779 C GLU A 52 -5.021 -3.723 -9.582 1.00 0.00 C ATOM 780 O GLU A 52 -5.652 -3.055 -10.401 1.00 0.00 O ATOM 781 CB GLU A 52 -4.192 -5.460 -11.180 1.00 0.00 C ATOM 782 CG GLU A 52 -3.031 -4.535 -11.508 1.00 0.00 C ATOM 783 CD GLU A 52 -2.790 -4.407 -12.999 1.00 0.00 C ATOM 784 OE1 GLU A 52 -3.780 -4.385 -13.761 1.00 0.00 O ATOM 785 OE2 GLU A 52 -1.612 -4.327 -13.405 1.00 0.00 O ATOM 0 H GLU A 52 -6.568 -6.076 -10.518 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.101 -5.574 -9.036 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.851 -6.493 -11.242 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.969 -5.335 -11.934 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.228 -3.548 -11.090 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.127 -4.909 -11.028 1.00 0.00 H new ATOM 792 N VAL A 53 -4.501 -3.205 -8.474 1.00 0.00 N ATOM 793 CA VAL A 53 -4.643 -1.790 -8.151 1.00 0.00 C ATOM 794 C VAL A 53 -4.130 -0.913 -9.287 1.00 0.00 C ATOM 795 O VAL A 53 -3.118 -1.223 -9.916 1.00 0.00 O ATOM 796 CB VAL A 53 -3.889 -1.431 -6.857 1.00 0.00 C ATOM 797 CG1 VAL A 53 -4.501 -2.149 -5.664 1.00 0.00 C ATOM 798 CG2 VAL A 53 -2.411 -1.768 -6.992 1.00 0.00 C ATOM 0 H VAL A 53 -3.977 -3.744 -7.785 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.707 -1.604 -8.005 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.981 -0.358 -6.690 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.954 -1.882 -4.759 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.545 -1.853 -5.558 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.443 -3.226 -5.819 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.893 -1.508 -6.069 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.297 -2.835 -7.184 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.983 -1.203 -7.820 1.00 0.00 H new ATOM 808 N VAL A 54 -4.834 0.185 -9.544 1.00 0.00 N ATOM 809 CA VAL A 54 -4.448 1.110 -10.603 1.00 0.00 C ATOM 810 C VAL A 54 -4.183 2.504 -10.046 1.00 0.00 C ATOM 811 O VAL A 54 -4.933 3.000 -9.206 1.00 0.00 O ATOM 812 CB VAL A 54 -5.535 1.202 -11.690 1.00 0.00 C ATOM 813 CG1 VAL A 54 -6.859 1.646 -11.087 1.00 0.00 C ATOM 814 CG2 VAL A 54 -5.100 2.149 -12.799 1.00 0.00 C ATOM 0 H VAL A 54 -5.674 0.456 -9.033 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.532 0.719 -11.047 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.676 0.212 -12.123 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.614 1.705 -11.871 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.175 0.926 -10.332 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.738 2.626 -10.625 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.880 2.202 -13.559 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.930 3.142 -12.383 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.178 1.782 -13.250 1.00 0.00 H new ATOM 824 N GLU A 55 -3.111 3.131 -10.520 1.00 0.00 N ATOM 825 CA GLU A 55 -2.746 4.468 -10.069 1.00 0.00 C ATOM 826 C GLU A 55 -3.980 5.360 -9.959 1.00 0.00 C ATOM 827 O GLU A 55 -4.945 5.197 -10.705 1.00 0.00 O ATOM 828 CB GLU A 55 -1.733 5.096 -11.028 1.00 0.00 C ATOM 829 CG GLU A 55 -0.290 4.760 -10.695 1.00 0.00 C ATOM 830 CD GLU A 55 0.609 4.768 -11.916 1.00 0.00 C ATOM 831 OE1 GLU A 55 0.226 4.163 -12.939 1.00 0.00 O ATOM 832 OE2 GLU A 55 1.694 5.382 -11.849 1.00 0.00 O ATOM 0 H GLU A 55 -2.480 2.734 -11.216 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.293 4.379 -9.082 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.950 4.762 -12.042 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.857 6.179 -11.016 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.087 5.478 -9.966 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.249 3.777 -10.225 1.00 0.00 H new ATOM 839 N SER A 56 -3.940 6.303 -9.023 1.00 0.00 N ATOM 840 CA SER A 56 -5.055 7.218 -8.811 1.00 0.00 C ATOM 841 C SER A 56 -4.670 8.328 -7.838 1.00 0.00 C ATOM 842 O SER A 56 -3.654 8.257 -7.146 1.00 0.00 O ATOM 843 CB SER A 56 -6.273 6.458 -8.281 1.00 0.00 C ATOM 844 OG SER A 56 -5.882 5.267 -7.621 1.00 0.00 O ATOM 0 H SER A 56 -3.147 6.453 -8.399 1.00 0.00 H new ATOM 0 HA SER A 56 -5.308 7.671 -9.770 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.831 7.093 -7.593 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.943 6.217 -9.106 1.00 0.00 H new ATOM 0 HG SER A 56 -5.730 4.561 -8.283 1.00 0.00 H new ATOM 850 N PRO A 57 -5.502 9.379 -7.781 1.00 0.00 N ATOM 851 CA PRO A 57 -5.271 10.524 -6.896 1.00 0.00 C ATOM 852 C PRO A 57 -5.463 10.168 -5.426 1.00 0.00 C ATOM 853 O PRO A 57 -5.397 11.035 -4.554 1.00 0.00 O ATOM 854 CB PRO A 57 -6.327 11.537 -7.343 1.00 0.00 C ATOM 855 CG PRO A 57 -7.412 10.712 -7.945 1.00 0.00 C ATOM 856 CD PRO A 57 -6.732 9.530 -8.577 1.00 0.00 C ATOM 0 HA PRO A 57 -4.248 10.894 -6.968 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.696 12.122 -6.501 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.918 12.242 -8.067 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -8.125 10.392 -7.186 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.971 11.283 -8.686 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.354 8.636 -8.530 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.510 9.709 -9.629 1.00 0.00 H new ATOM 864 N ALA A 58 -5.700 8.889 -5.157 1.00 0.00 N ATOM 865 CA ALA A 58 -5.900 8.418 -3.792 1.00 0.00 C ATOM 866 C ALA A 58 -4.921 7.301 -3.448 1.00 0.00 C ATOM 867 O ALA A 58 -4.794 6.908 -2.287 1.00 0.00 O ATOM 868 CB ALA A 58 -7.333 7.945 -3.601 1.00 0.00 C ATOM 0 H ALA A 58 -5.758 8.159 -5.867 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.712 9.251 -3.115 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -7.468 7.596 -2.577 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -8.018 8.770 -3.796 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.542 7.129 -4.293 1.00 0.00 H new ATOM 874 N LEU A 59 -4.230 6.792 -4.462 1.00 0.00 N ATOM 875 CA LEU A 59 -3.262 5.719 -4.267 1.00 0.00 C ATOM 876 C LEU A 59 -1.972 6.004 -5.030 1.00 0.00 C ATOM 877 O LEU A 59 -1.900 5.808 -6.244 1.00 0.00 O ATOM 878 CB LEU A 59 -3.853 4.383 -4.723 1.00 0.00 C ATOM 879 CG LEU A 59 -2.904 3.185 -4.696 1.00 0.00 C ATOM 880 CD1 LEU A 59 -3.659 1.913 -4.344 1.00 0.00 C ATOM 881 CD2 LEU A 59 -2.197 3.034 -6.035 1.00 0.00 C ATOM 0 H LEU A 59 -4.322 7.106 -5.428 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.029 5.662 -3.204 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.712 4.155 -4.092 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.227 4.502 -5.740 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.151 3.360 -3.928 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.967 1.071 -4.330 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.118 2.022 -3.361 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.435 1.732 -5.088 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.526 2.176 -5.997 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.936 2.882 -6.822 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.622 3.936 -6.247 1.00 0.00 H new ATOM 893 N LEU A 60 -0.955 6.465 -4.310 1.00 0.00 N ATOM 894 CA LEU A 60 0.334 6.774 -4.918 1.00 0.00 C ATOM 895 C LEU A 60 1.290 5.591 -4.801 1.00 0.00 C ATOM 896 O LEU A 60 1.511 5.063 -3.710 1.00 0.00 O ATOM 897 CB LEU A 60 0.949 8.009 -4.256 1.00 0.00 C ATOM 898 CG LEU A 60 0.106 9.284 -4.299 1.00 0.00 C ATOM 899 CD1 LEU A 60 0.796 10.406 -3.539 1.00 0.00 C ATOM 900 CD2 LEU A 60 -0.160 9.698 -5.739 1.00 0.00 C ATOM 0 H LEU A 60 -0.998 6.633 -3.305 1.00 0.00 H new ATOM 0 HA LEU A 60 0.169 6.980 -5.976 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.159 7.771 -3.213 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.907 8.214 -4.735 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.850 9.081 -3.817 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.181 11.305 -3.581 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.935 10.109 -2.499 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.767 10.609 -3.992 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.761 10.607 -5.751 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.787 9.883 -6.245 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.697 8.901 -6.253 1.00 0.00 H new ATOM 912 N LEU A 61 1.855 5.180 -5.930 1.00 0.00 N ATOM 913 CA LEU A 61 2.790 4.060 -5.954 1.00 0.00 C ATOM 914 C LEU A 61 4.233 4.555 -5.959 1.00 0.00 C ATOM 915 O LEU A 61 4.689 5.156 -6.932 1.00 0.00 O ATOM 916 CB LEU A 61 2.535 3.184 -7.182 1.00 0.00 C ATOM 917 CG LEU A 61 1.140 2.568 -7.289 1.00 0.00 C ATOM 918 CD1 LEU A 61 1.040 1.683 -8.522 1.00 0.00 C ATOM 919 CD2 LEU A 61 0.808 1.776 -6.033 1.00 0.00 C ATOM 0 H LEU A 61 1.683 5.605 -6.841 1.00 0.00 H new ATOM 0 HA LEU A 61 2.632 3.467 -5.053 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.715 3.783 -8.075 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.268 2.377 -7.186 1.00 0.00 H new ATOM 0 HG LEU A 61 0.414 3.375 -7.387 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.040 1.253 -8.581 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.232 2.279 -9.414 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.776 0.882 -8.455 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.189 1.345 -6.127 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.538 0.977 -5.903 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.837 2.438 -5.167 1.00 0.00 H new ATOM 931 N GLN A 62 4.945 4.297 -4.867 1.00 0.00 N ATOM 932 CA GLN A 62 6.337 4.715 -4.747 1.00 0.00 C ATOM 933 C GLN A 62 7.281 3.576 -5.116 1.00 0.00 C ATOM 934 O GLN A 62 6.887 2.410 -5.137 1.00 0.00 O ATOM 935 CB GLN A 62 6.627 5.193 -3.323 1.00 0.00 C ATOM 936 CG GLN A 62 5.780 6.381 -2.896 1.00 0.00 C ATOM 937 CD GLN A 62 5.714 7.462 -3.956 1.00 0.00 C ATOM 938 OE1 GLN A 62 6.732 7.841 -4.537 1.00 0.00 O ATOM 939 NE2 GLN A 62 4.513 7.966 -4.215 1.00 0.00 N ATOM 0 H GLN A 62 4.582 3.801 -4.053 1.00 0.00 H new ATOM 0 HA GLN A 62 6.504 5.539 -5.440 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.457 4.369 -2.630 1.00 0.00 H new ATOM 0 HB3 GLN A 62 7.680 5.462 -3.246 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.770 6.039 -2.668 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.189 6.802 -1.978 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.696 7.623 -3.710 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.407 8.696 -4.919 1.00 0.00 H new ATOM 948 N LYS A 63 8.531 3.921 -5.407 1.00 0.00 N ATOM 949 CA LYS A 63 9.534 2.928 -5.775 1.00 0.00 C ATOM 950 C LYS A 63 10.928 3.380 -5.352 1.00 0.00 C ATOM 951 O LYS A 63 11.460 4.355 -5.882 1.00 0.00 O ATOM 952 CB LYS A 63 9.503 2.676 -7.284 1.00 0.00 C ATOM 953 CG LYS A 63 8.107 2.433 -7.832 1.00 0.00 C ATOM 954 CD LYS A 63 8.109 2.358 -9.349 1.00 0.00 C ATOM 955 CE LYS A 63 6.699 2.442 -9.913 1.00 0.00 C ATOM 956 NZ LYS A 63 6.285 3.850 -10.165 1.00 0.00 N ATOM 0 H LYS A 63 8.874 4.882 -5.395 1.00 0.00 H new ATOM 0 HA LYS A 63 9.299 2.000 -5.254 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.941 3.533 -7.796 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.129 1.814 -7.513 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.711 1.504 -7.421 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.443 3.234 -7.507 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.713 3.170 -9.754 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.575 1.425 -9.668 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.646 1.876 -10.843 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.001 1.977 -9.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.319 3.864 -10.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.311 4.384 -9.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.936 4.286 -10.849 1.00 0.00 H new ATOM 970 N GLU A 64 11.514 2.664 -4.398 1.00 0.00 N ATOM 971 CA GLU A 64 12.846 2.993 -3.906 1.00 0.00 C ATOM 972 C GLU A 64 13.916 2.225 -4.677 1.00 0.00 C ATOM 973 O GLU A 64 13.607 1.450 -5.582 1.00 0.00 O ATOM 974 CB GLU A 64 12.955 2.680 -2.412 1.00 0.00 C ATOM 975 CG GLU A 64 13.855 3.640 -1.653 1.00 0.00 C ATOM 976 CD GLU A 64 13.695 5.076 -2.112 1.00 0.00 C ATOM 977 OE1 GLU A 64 12.808 5.774 -1.576 1.00 0.00 O ATOM 978 OE2 GLU A 64 14.455 5.503 -3.006 1.00 0.00 O ATOM 0 H GLU A 64 11.087 1.853 -3.951 1.00 0.00 H new ATOM 0 HA GLU A 64 13.008 4.060 -4.059 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.959 2.704 -1.971 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.334 1.666 -2.289 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.632 3.576 -0.588 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.894 3.336 -1.780 1.00 0.00 H new ATOM 985 N ASP A 65 15.174 2.446 -4.313 1.00 0.00 N ATOM 986 CA ASP A 65 16.290 1.775 -4.969 1.00 0.00 C ATOM 987 C ASP A 65 15.957 0.312 -5.245 1.00 0.00 C ATOM 988 O ASP A 65 15.809 -0.095 -6.398 1.00 0.00 O ATOM 989 CB ASP A 65 17.549 1.871 -4.106 1.00 0.00 C ATOM 990 CG ASP A 65 18.357 3.120 -4.397 1.00 0.00 C ATOM 991 OD1 ASP A 65 18.290 3.617 -5.541 1.00 0.00 O ATOM 992 OD2 ASP A 65 19.056 3.602 -3.481 1.00 0.00 O ATOM 0 H ASP A 65 15.447 3.085 -3.566 1.00 0.00 H new ATOM 0 HA ASP A 65 16.473 2.273 -5.921 1.00 0.00 H new ATOM 0 HB2 ASP A 65 17.266 1.862 -3.053 1.00 0.00 H new ATOM 0 HB3 ASP A 65 18.171 0.992 -4.276 1.00 0.00 H new ATOM 997 N THR A 66 15.843 -0.475 -4.180 1.00 0.00 N ATOM 998 CA THR A 66 15.530 -1.893 -4.308 1.00 0.00 C ATOM 999 C THR A 66 14.307 -2.263 -3.478 1.00 0.00 C ATOM 1000 O THR A 66 13.955 -3.437 -3.361 1.00 0.00 O ATOM 1001 CB THR A 66 16.718 -2.771 -3.871 1.00 0.00 C ATOM 1002 OG1 THR A 66 17.489 -2.092 -2.874 1.00 0.00 O ATOM 1003 CG2 THR A 66 17.604 -3.112 -5.059 1.00 0.00 C ATOM 0 H THR A 66 15.963 -0.155 -3.219 1.00 0.00 H new ATOM 0 HA THR A 66 15.319 -2.077 -5.362 1.00 0.00 H new ATOM 0 HB THR A 66 16.323 -3.697 -3.455 1.00 0.00 H new ATOM 0 HG1 THR A 66 18.241 -2.658 -2.601 1.00 0.00 H new ATOM 0 HG21 THR A 66 18.436 -3.732 -4.726 1.00 0.00 H new ATOM 0 HG22 THR A 66 17.022 -3.655 -5.803 1.00 0.00 H new ATOM 0 HG23 THR A 66 17.990 -2.193 -5.500 1.00 0.00 H new ATOM 1011 N VAL A 67 13.660 -1.254 -2.902 1.00 0.00 N ATOM 1012 CA VAL A 67 12.474 -1.474 -2.083 1.00 0.00 C ATOM 1013 C VAL A 67 11.312 -0.607 -2.556 1.00 0.00 C ATOM 1014 O VAL A 67 11.425 0.617 -2.626 1.00 0.00 O ATOM 1015 CB VAL A 67 12.753 -1.174 -0.599 1.00 0.00 C ATOM 1016 CG1 VAL A 67 13.494 0.146 -0.450 1.00 0.00 C ATOM 1017 CG2 VAL A 67 11.455 -1.159 0.194 1.00 0.00 C ATOM 0 H VAL A 67 13.938 -0.276 -2.988 1.00 0.00 H new ATOM 0 HA VAL A 67 12.206 -2.525 -2.189 1.00 0.00 H new ATOM 0 HB VAL A 67 13.387 -1.965 -0.200 1.00 0.00 H new ATOM 0 HG11 VAL A 67 13.682 0.341 0.606 1.00 0.00 H new ATOM 0 HG12 VAL A 67 14.443 0.093 -0.984 1.00 0.00 H new ATOM 0 HG13 VAL A 67 12.889 0.952 -0.865 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.671 -0.945 1.241 1.00 0.00 H new ATOM 0 HG22 VAL A 67 10.794 -0.389 -0.205 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.969 -2.131 0.115 1.00 0.00 H new ATOM 1027 N ARG A 68 10.195 -1.250 -2.879 1.00 0.00 N ATOM 1028 CA ARG A 68 9.011 -0.538 -3.346 1.00 0.00 C ATOM 1029 C ARG A 68 8.151 -0.084 -2.170 1.00 0.00 C ATOM 1030 O ARG A 68 8.094 -0.750 -1.136 1.00 0.00 O ATOM 1031 CB ARG A 68 8.189 -1.429 -4.280 1.00 0.00 C ATOM 1032 CG ARG A 68 8.968 -1.929 -5.485 1.00 0.00 C ATOM 1033 CD ARG A 68 9.253 -0.806 -6.470 1.00 0.00 C ATOM 1034 NE ARG A 68 9.533 -1.312 -7.811 1.00 0.00 N ATOM 1035 CZ ARG A 68 10.736 -1.710 -8.210 1.00 0.00 C ATOM 1036 NH1 ARG A 68 11.765 -1.662 -7.375 1.00 0.00 N ATOM 1037 NH2 ARG A 68 10.912 -2.158 -9.447 1.00 0.00 N ATOM 0 H ARG A 68 10.085 -2.263 -2.826 1.00 0.00 H new ATOM 0 HA ARG A 68 9.341 0.344 -3.895 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.817 -2.285 -3.717 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.318 -0.872 -4.626 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.908 -2.371 -5.154 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.403 -2.717 -5.983 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.397 -0.132 -6.508 1.00 0.00 H new ATOM 0 HD3 ARG A 68 10.103 -0.222 -6.118 1.00 0.00 H new ATOM 0 HE ARG A 68 8.763 -1.363 -8.478 1.00 0.00 H new ATOM 0 HH11 ARG A 68 11.634 -1.319 -6.423 1.00 0.00 H new ATOM 0 HH12 ARG A 68 12.687 -1.968 -7.684 1.00 0.00 H new ATOM 0 HH21 ARG A 68 10.123 -2.197 -10.092 1.00 0.00 H new ATOM 0 HH22 ARG A 68 11.836 -2.463 -9.752 1.00 0.00 H new ATOM 1051 N ARG A 69 7.483 1.053 -2.337 1.00 0.00 N ATOM 1052 CA ARG A 69 6.627 1.596 -1.289 1.00 0.00 C ATOM 1053 C ARG A 69 5.299 2.076 -1.867 1.00 0.00 C ATOM 1054 O ARG A 69 5.242 2.571 -2.993 1.00 0.00 O ATOM 1055 CB ARG A 69 7.331 2.751 -0.574 1.00 0.00 C ATOM 1056 CG ARG A 69 8.378 2.297 0.431 1.00 0.00 C ATOM 1057 CD ARG A 69 8.648 3.368 1.476 1.00 0.00 C ATOM 1058 NE ARG A 69 9.373 4.506 0.918 1.00 0.00 N ATOM 1059 CZ ARG A 69 10.103 5.342 1.648 1.00 0.00 C ATOM 1060 NH1 ARG A 69 10.205 5.168 2.958 1.00 0.00 N ATOM 1061 NH2 ARG A 69 10.733 6.355 1.067 1.00 0.00 N ATOM 0 H ARG A 69 7.518 1.615 -3.187 1.00 0.00 H new ATOM 0 HA ARG A 69 6.425 0.801 -0.571 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.806 3.391 -1.317 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.585 3.358 -0.060 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.041 1.384 0.922 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.304 2.055 -0.091 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.703 3.711 1.896 1.00 0.00 H new ATOM 0 HD3 ARG A 69 9.224 2.938 2.296 1.00 0.00 H new ATOM 0 HE ARG A 69 9.316 4.668 -0.087 1.00 0.00 H new ATOM 0 HH11 ARG A 69 9.722 4.390 3.408 1.00 0.00 H new ATOM 0 HH12 ARG A 69 10.766 5.812 3.516 1.00 0.00 H new ATOM 0 HH21 ARG A 69 10.657 6.492 0.059 1.00 0.00 H new ATOM 0 HH22 ARG A 69 11.293 6.996 1.628 1.00 0.00 H new ATOM 1075 N LEU A 70 4.233 1.926 -1.089 1.00 0.00 N ATOM 1076 CA LEU A 70 2.904 2.343 -1.523 1.00 0.00 C ATOM 1077 C LEU A 70 2.324 3.386 -0.573 1.00 0.00 C ATOM 1078 O LEU A 70 1.778 3.049 0.478 1.00 0.00 O ATOM 1079 CB LEU A 70 1.970 1.135 -1.604 1.00 0.00 C ATOM 1080 CG LEU A 70 0.473 1.438 -1.528 1.00 0.00 C ATOM 1081 CD1 LEU A 70 0.080 2.459 -2.584 1.00 0.00 C ATOM 1082 CD2 LEU A 70 -0.339 0.161 -1.690 1.00 0.00 C ATOM 0 H LEU A 70 4.263 1.519 -0.154 1.00 0.00 H new ATOM 0 HA LEU A 70 2.995 2.790 -2.513 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.167 0.611 -2.539 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.223 0.450 -0.795 1.00 0.00 H new ATOM 0 HG LEU A 70 0.257 1.860 -0.546 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.989 2.662 -2.514 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.636 3.383 -2.422 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.311 2.066 -3.574 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.402 0.396 -1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.118 -0.290 -2.657 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.079 -0.539 -0.896 1.00 0.00 H new ATOM 1094 N VAL A 71 2.443 4.655 -0.950 1.00 0.00 N ATOM 1095 CA VAL A 71 1.928 5.748 -0.134 1.00 0.00 C ATOM 1096 C VAL A 71 0.536 6.167 -0.593 1.00 0.00 C ATOM 1097 O VAL A 71 0.271 6.273 -1.792 1.00 0.00 O ATOM 1098 CB VAL A 71 2.862 6.971 -0.180 1.00 0.00 C ATOM 1099 CG1 VAL A 71 2.230 8.153 0.540 1.00 0.00 C ATOM 1100 CG2 VAL A 71 4.216 6.630 0.425 1.00 0.00 C ATOM 0 H VAL A 71 2.892 4.952 -1.816 1.00 0.00 H new ATOM 0 HA VAL A 71 1.874 5.380 0.891 1.00 0.00 H new ATOM 0 HB VAL A 71 3.015 7.251 -1.222 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.905 9.008 0.497 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.287 8.410 0.058 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.045 7.888 1.581 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.864 7.506 0.384 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.084 6.324 1.463 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.671 5.815 -0.138 1.00 0.00 H new ATOM 1110 N LEU A 72 -0.350 6.406 0.367 1.00 0.00 N ATOM 1111 CA LEU A 72 -1.717 6.816 0.061 1.00 0.00 C ATOM 1112 C LEU A 72 -2.046 8.151 0.722 1.00 0.00 C ATOM 1113 O LEU A 72 -2.243 8.240 1.934 1.00 0.00 O ATOM 1114 CB LEU A 72 -2.707 5.746 0.527 1.00 0.00 C ATOM 1115 CG LEU A 72 -2.710 4.442 -0.272 1.00 0.00 C ATOM 1116 CD1 LEU A 72 -1.516 3.581 0.107 1.00 0.00 C ATOM 1117 CD2 LEU A 72 -4.010 3.683 -0.048 1.00 0.00 C ATOM 0 H LEU A 72 -0.147 6.323 1.363 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.801 6.936 -1.019 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.492 5.510 1.569 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.711 6.170 0.496 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.633 4.687 -1.331 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.535 2.657 -0.472 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.595 4.123 -0.105 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.561 3.344 1.170 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.995 2.758 -0.624 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.117 3.449 1.011 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.850 4.298 -0.371 1.00 0.00 H new ATOM 1129 N PRO A 73 -2.109 9.215 -0.092 1.00 0.00 N ATOM 1130 CA PRO A 73 -2.417 10.564 0.391 1.00 0.00 C ATOM 1131 C PRO A 73 -3.867 10.701 0.843 1.00 0.00 C ATOM 1132 O PRO A 73 -4.247 11.705 1.444 1.00 0.00 O ATOM 1133 CB PRO A 73 -2.152 11.447 -0.831 1.00 0.00 C ATOM 1134 CG PRO A 73 -2.339 10.542 -2.000 1.00 0.00 C ATOM 1135 CD PRO A 73 -1.885 9.182 -1.547 1.00 0.00 C ATOM 0 HA PRO A 73 -1.821 10.830 1.264 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.843 12.289 -0.868 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.144 11.862 -0.809 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.383 10.521 -2.314 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.756 10.883 -2.855 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.459 8.387 -2.024 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.837 9.007 -1.788 1.00 0.00 H new ATOM 1143 N ALA A 74 -4.672 9.685 0.550 1.00 0.00 N ATOM 1144 CA ALA A 74 -6.079 9.692 0.929 1.00 0.00 C ATOM 1145 C ALA A 74 -6.678 8.292 0.843 1.00 0.00 C ATOM 1146 O ALA A 74 -6.943 7.785 -0.248 1.00 0.00 O ATOM 1147 CB ALA A 74 -6.859 10.656 0.048 1.00 0.00 C ATOM 0 H ALA A 74 -4.374 8.847 0.051 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.148 10.026 1.964 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.908 10.650 0.343 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.455 11.662 0.163 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.773 10.347 -0.994 1.00 0.00 H new ATOM 1153 N VAL A 75 -6.887 7.671 1.999 1.00 0.00 N ATOM 1154 CA VAL A 75 -7.455 6.329 2.054 1.00 0.00 C ATOM 1155 C VAL A 75 -8.924 6.370 2.459 1.00 0.00 C ATOM 1156 O VAL A 75 -9.445 7.419 2.835 1.00 0.00 O ATOM 1157 CB VAL A 75 -6.686 5.434 3.044 1.00 0.00 C ATOM 1158 CG1 VAL A 75 -5.191 5.703 2.957 1.00 0.00 C ATOM 1159 CG2 VAL A 75 -7.193 5.650 4.461 1.00 0.00 C ATOM 0 H VAL A 75 -6.672 8.075 2.910 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.369 5.908 1.052 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.860 4.392 2.775 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.664 5.062 3.664 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.842 5.493 1.946 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.995 6.747 3.199 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.639 5.010 5.147 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.051 6.693 4.743 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.253 5.402 4.510 1.00 0.00 H new ATOM 1169 N GLN A 76 -9.586 5.220 2.380 1.00 0.00 N ATOM 1170 CA GLN A 76 -10.997 5.125 2.738 1.00 0.00 C ATOM 1171 C GLN A 76 -11.276 3.842 3.514 1.00 0.00 C ATOM 1172 O GLN A 76 -10.603 2.828 3.322 1.00 0.00 O ATOM 1173 CB GLN A 76 -11.868 5.175 1.483 1.00 0.00 C ATOM 1174 CG GLN A 76 -11.622 6.402 0.620 1.00 0.00 C ATOM 1175 CD GLN A 76 -12.074 7.686 1.288 1.00 0.00 C ATOM 1176 OE1 GLN A 76 -12.319 7.718 2.495 1.00 0.00 O ATOM 1177 NE2 GLN A 76 -12.186 8.753 0.506 1.00 0.00 N ATOM 0 H GLN A 76 -9.169 4.342 2.072 1.00 0.00 H new ATOM 0 HA GLN A 76 -11.242 5.975 3.375 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.685 4.280 0.888 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -12.917 5.153 1.778 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -10.559 6.472 0.389 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -12.147 6.286 -0.328 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -11.973 8.681 -0.489 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -12.485 9.645 0.900 1.00 0.00 H new ATOM 1186 N LEU A 77 -12.271 3.892 4.392 1.00 0.00 N ATOM 1187 CA LEU A 77 -12.640 2.734 5.199 1.00 0.00 C ATOM 1188 C LEU A 77 -12.829 1.499 4.323 1.00 0.00 C ATOM 1189 O LEU A 77 -12.471 0.389 4.714 1.00 0.00 O ATOM 1190 CB LEU A 77 -13.923 3.020 5.981 1.00 0.00 C ATOM 1191 CG LEU A 77 -13.898 4.254 6.883 1.00 0.00 C ATOM 1192 CD1 LEU A 77 -15.290 4.555 7.415 1.00 0.00 C ATOM 1193 CD2 LEU A 77 -12.917 4.058 8.030 1.00 0.00 C ATOM 0 H LEU A 77 -12.837 4.723 4.564 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.830 2.538 5.902 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -14.741 3.131 5.270 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.152 2.150 6.596 1.00 0.00 H new ATOM 0 HG LEU A 77 -13.566 5.106 6.290 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -15.252 5.437 8.055 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -15.966 4.741 6.580 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -15.651 3.703 7.992 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -12.913 4.947 8.661 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -13.218 3.194 8.622 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -11.917 3.893 7.629 1.00 0.00 H new ATOM 1205 N GLU A 78 -13.393 1.702 3.137 1.00 0.00 N ATOM 1206 CA GLU A 78 -13.628 0.605 2.206 1.00 0.00 C ATOM 1207 C GLU A 78 -12.309 0.040 1.687 1.00 0.00 C ATOM 1208 O GLU A 78 -12.178 -1.166 1.476 1.00 0.00 O ATOM 1209 CB GLU A 78 -14.490 1.077 1.033 1.00 0.00 C ATOM 1210 CG GLU A 78 -15.955 1.263 1.390 1.00 0.00 C ATOM 1211 CD GLU A 78 -16.708 -0.052 1.465 1.00 0.00 C ATOM 1212 OE1 GLU A 78 -16.450 -0.933 0.618 1.00 0.00 O ATOM 1213 OE2 GLU A 78 -17.555 -0.199 2.371 1.00 0.00 O ATOM 0 H GLU A 78 -13.696 2.615 2.798 1.00 0.00 H new ATOM 0 HA GLU A 78 -14.156 -0.184 2.741 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.093 2.021 0.658 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.412 0.354 0.221 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -16.029 1.775 2.349 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -16.427 1.906 0.648 1.00 0.00 H new ATOM 1220 N ASP A 79 -11.335 0.920 1.483 1.00 0.00 N ATOM 1221 CA ASP A 79 -10.025 0.510 0.989 1.00 0.00 C ATOM 1222 C ASP A 79 -9.401 -0.536 1.907 1.00 0.00 C ATOM 1223 O ASP A 79 -8.720 -1.453 1.448 1.00 0.00 O ATOM 1224 CB ASP A 79 -9.099 1.721 0.871 1.00 0.00 C ATOM 1225 CG ASP A 79 -9.527 2.672 -0.230 1.00 0.00 C ATOM 1226 OD1 ASP A 79 -9.968 2.188 -1.294 1.00 0.00 O ATOM 1227 OD2 ASP A 79 -9.420 3.899 -0.028 1.00 0.00 O ATOM 0 H ASP A 79 -11.427 1.922 1.652 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.159 0.067 0.002 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.081 2.255 1.821 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -8.082 1.380 0.677 1.00 0.00 H new ATOM 1232 N SER A 80 -9.638 -0.391 3.207 1.00 0.00 N ATOM 1233 CA SER A 80 -9.095 -1.321 4.191 1.00 0.00 C ATOM 1234 C SER A 80 -9.447 -2.761 3.831 1.00 0.00 C ATOM 1235 O SER A 80 -10.620 -3.117 3.726 1.00 0.00 O ATOM 1236 CB SER A 80 -9.626 -0.987 5.586 1.00 0.00 C ATOM 1237 OG SER A 80 -11.001 -1.310 5.699 1.00 0.00 O ATOM 0 H SER A 80 -10.202 0.361 3.603 1.00 0.00 H new ATOM 0 HA SER A 80 -8.010 -1.220 4.189 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.057 -1.536 6.336 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.480 0.074 5.790 1.00 0.00 H new ATOM 0 HG SER A 80 -11.491 -0.924 4.943 1.00 0.00 H new ATOM 1243 N GLY A 81 -8.421 -3.585 3.643 1.00 0.00 N ATOM 1244 CA GLY A 81 -8.642 -4.977 3.296 1.00 0.00 C ATOM 1245 C GLY A 81 -7.368 -5.796 3.346 1.00 0.00 C ATOM 1246 O GLY A 81 -6.695 -5.846 4.375 1.00 0.00 O ATOM 0 H GLY A 81 -7.441 -3.314 3.725 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.374 -5.407 3.980 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.069 -5.035 2.295 1.00 0.00 H new ATOM 1250 N GLU A 82 -7.037 -6.441 2.231 1.00 0.00 N ATOM 1251 CA GLU A 82 -5.836 -7.264 2.154 1.00 0.00 C ATOM 1252 C GLU A 82 -4.983 -6.871 0.952 1.00 0.00 C ATOM 1253 O GLU A 82 -5.278 -7.248 -0.183 1.00 0.00 O ATOM 1254 CB GLU A 82 -6.210 -8.745 2.065 1.00 0.00 C ATOM 1255 CG GLU A 82 -5.177 -9.673 2.683 1.00 0.00 C ATOM 1256 CD GLU A 82 -5.566 -11.134 2.575 1.00 0.00 C ATOM 1257 OE1 GLU A 82 -6.028 -11.546 1.490 1.00 0.00 O ATOM 1258 OE2 GLU A 82 -5.410 -11.866 3.575 1.00 0.00 O ATOM 0 H GLU A 82 -7.583 -6.409 1.370 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.254 -7.097 3.061 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.168 -8.899 2.562 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.347 -9.014 1.018 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.216 -9.520 2.192 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.043 -9.413 3.733 1.00 0.00 H new ATOM 1265 N TYR A 83 -3.925 -6.110 1.208 1.00 0.00 N ATOM 1266 CA TYR A 83 -3.030 -5.663 0.147 1.00 0.00 C ATOM 1267 C TYR A 83 -1.981 -6.725 -0.166 1.00 0.00 C ATOM 1268 O TYR A 83 -1.011 -6.894 0.573 1.00 0.00 O ATOM 1269 CB TYR A 83 -2.344 -4.356 0.548 1.00 0.00 C ATOM 1270 CG TYR A 83 -3.109 -3.119 0.134 1.00 0.00 C ATOM 1271 CD1 TYR A 83 -2.907 -2.537 -1.111 1.00 0.00 C ATOM 1272 CD2 TYR A 83 -4.035 -2.532 0.989 1.00 0.00 C ATOM 1273 CE1 TYR A 83 -3.603 -1.406 -1.493 1.00 0.00 C ATOM 1274 CE2 TYR A 83 -4.737 -1.403 0.615 1.00 0.00 C ATOM 1275 CZ TYR A 83 -4.517 -0.843 -0.627 1.00 0.00 C ATOM 1276 OH TYR A 83 -5.213 0.282 -1.004 1.00 0.00 O ATOM 0 H TYR A 83 -3.666 -5.790 2.141 1.00 0.00 H new ATOM 0 HA TYR A 83 -3.627 -5.494 -0.749 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -2.208 -4.344 1.629 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -1.350 -4.325 0.101 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -2.193 -2.976 -1.792 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -4.208 -2.966 1.962 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -3.432 -0.965 -2.464 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -5.454 -0.961 1.291 1.00 0.00 H new ATOM 0 HH TYR A 83 -5.817 0.551 -0.281 1.00 0.00 H new ATOM 1286 N LEU A 84 -2.184 -7.440 -1.267 1.00 0.00 N ATOM 1287 CA LEU A 84 -1.256 -8.487 -1.681 1.00 0.00 C ATOM 1288 C LEU A 84 -0.365 -8.006 -2.821 1.00 0.00 C ATOM 1289 O LEU A 84 -0.845 -7.719 -3.919 1.00 0.00 O ATOM 1290 CB LEU A 84 -2.026 -9.737 -2.113 1.00 0.00 C ATOM 1291 CG LEU A 84 -2.239 -10.800 -1.035 1.00 0.00 C ATOM 1292 CD1 LEU A 84 -0.963 -11.598 -0.814 1.00 0.00 C ATOM 1293 CD2 LEU A 84 -2.699 -10.157 0.265 1.00 0.00 C ATOM 0 H LEU A 84 -2.983 -7.314 -1.889 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.623 -8.734 -0.829 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.002 -9.427 -2.487 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.496 -10.196 -2.948 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.017 -11.483 -1.374 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.133 -12.350 -0.043 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.676 -12.089 -1.744 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.165 -10.927 -0.496 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.846 -10.929 1.021 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.943 -9.451 0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.638 -9.630 0.098 1.00 0.00 H new ATOM 1305 N CYS A 85 0.934 -7.922 -2.555 1.00 0.00 N ATOM 1306 CA CYS A 85 1.893 -7.477 -3.560 1.00 0.00 C ATOM 1307 C CYS A 85 2.557 -8.668 -4.243 1.00 0.00 C ATOM 1308 O CYS A 85 3.385 -9.355 -3.647 1.00 0.00 O ATOM 1309 CB CYS A 85 2.956 -6.584 -2.919 1.00 0.00 C ATOM 1310 SG CYS A 85 4.253 -6.046 -4.059 1.00 0.00 S ATOM 0 H CYS A 85 1.347 -8.156 -1.652 1.00 0.00 H new ATOM 0 HA CYS A 85 1.353 -6.904 -4.314 1.00 0.00 H new ATOM 0 HB2 CYS A 85 2.470 -5.704 -2.497 1.00 0.00 H new ATOM 0 HB3 CYS A 85 3.416 -7.122 -2.090 1.00 0.00 H new ATOM 0 HG CYS A 85 4.215 -4.752 -4.180 1.00 0.00 H new ATOM 1316 N GLU A 86 2.185 -8.907 -5.497 1.00 0.00 N ATOM 1317 CA GLU A 86 2.742 -10.017 -6.260 1.00 0.00 C ATOM 1318 C GLU A 86 3.841 -9.532 -7.202 1.00 0.00 C ATOM 1319 O GLU A 86 3.722 -8.473 -7.818 1.00 0.00 O ATOM 1320 CB GLU A 86 1.643 -10.718 -7.061 1.00 0.00 C ATOM 1321 CG GLU A 86 0.315 -10.800 -6.327 1.00 0.00 C ATOM 1322 CD GLU A 86 -0.505 -12.009 -6.738 1.00 0.00 C ATOM 1323 OE1 GLU A 86 -1.293 -11.891 -7.700 1.00 0.00 O ATOM 1324 OE2 GLU A 86 -0.358 -13.071 -6.098 1.00 0.00 O ATOM 0 H GLU A 86 1.501 -8.347 -6.005 1.00 0.00 H new ATOM 0 HA GLU A 86 3.176 -10.726 -5.555 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.497 -10.188 -8.002 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.974 -11.726 -7.311 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.499 -10.838 -5.253 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.259 -9.894 -6.520 1.00 0.00 H new ATOM 1331 N ILE A 87 4.910 -10.314 -7.306 1.00 0.00 N ATOM 1332 CA ILE A 87 6.030 -9.966 -8.172 1.00 0.00 C ATOM 1333 C ILE A 87 6.160 -10.953 -9.327 1.00 0.00 C ATOM 1334 O ILE A 87 6.129 -10.565 -10.495 1.00 0.00 O ATOM 1335 CB ILE A 87 7.356 -9.930 -7.390 1.00 0.00 C ATOM 1336 CG1 ILE A 87 8.529 -10.258 -8.317 1.00 0.00 C ATOM 1337 CG2 ILE A 87 7.309 -10.903 -6.222 1.00 0.00 C ATOM 1338 CD1 ILE A 87 9.822 -9.583 -7.917 1.00 0.00 C ATOM 0 H ILE A 87 5.024 -11.193 -6.801 1.00 0.00 H new ATOM 0 HA ILE A 87 5.825 -8.972 -8.569 1.00 0.00 H new ATOM 0 HB ILE A 87 7.500 -8.925 -6.994 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.681 -11.337 -8.330 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.272 -9.960 -9.334 1.00 0.00 H new ATOM 0 HG21 ILE A 87 8.254 -10.866 -5.679 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.494 -10.628 -5.552 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.145 -11.913 -6.597 1.00 0.00 H new ATOM 0 HD11 ILE A 87 10.609 -9.861 -8.618 1.00 0.00 H new ATOM 0 HD12 ILE A 87 9.688 -8.501 -7.932 1.00 0.00 H new ATOM 0 HD13 ILE A 87 10.102 -9.900 -6.912 1.00 0.00 H new ATOM 1350 N ASP A 88 6.304 -12.230 -8.992 1.00 0.00 N ATOM 1351 CA ASP A 88 6.436 -13.275 -10.001 1.00 0.00 C ATOM 1352 C ASP A 88 5.556 -14.474 -9.661 1.00 0.00 C ATOM 1353 O ASP A 88 4.536 -14.712 -10.308 1.00 0.00 O ATOM 1354 CB ASP A 88 7.895 -13.716 -10.122 1.00 0.00 C ATOM 1355 CG ASP A 88 8.250 -14.164 -11.526 1.00 0.00 C ATOM 1356 OD1 ASP A 88 7.463 -14.929 -12.122 1.00 0.00 O ATOM 1357 OD2 ASP A 88 9.315 -13.750 -12.030 1.00 0.00 O ATOM 0 H ASP A 88 6.332 -12.567 -8.030 1.00 0.00 H new ATOM 0 HA ASP A 88 6.108 -12.866 -10.956 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.546 -12.891 -9.831 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.084 -14.532 -9.425 1.00 0.00 H new ATOM 1362 N ASP A 89 5.958 -15.225 -8.642 1.00 0.00 N ATOM 1363 CA ASP A 89 5.206 -16.400 -8.215 1.00 0.00 C ATOM 1364 C ASP A 89 4.728 -16.245 -6.775 1.00 0.00 C ATOM 1365 O ASP A 89 3.734 -16.848 -6.373 1.00 0.00 O ATOM 1366 CB ASP A 89 6.065 -17.658 -8.349 1.00 0.00 C ATOM 1367 CG ASP A 89 6.232 -18.095 -9.791 1.00 0.00 C ATOM 1368 OD1 ASP A 89 5.375 -17.732 -10.623 1.00 0.00 O ATOM 1369 OD2 ASP A 89 7.219 -18.801 -10.087 1.00 0.00 O ATOM 0 H ASP A 89 6.800 -15.042 -8.096 1.00 0.00 H new ATOM 0 HA ASP A 89 4.333 -16.496 -8.860 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.047 -17.472 -7.913 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.610 -18.467 -7.778 1.00 0.00 H new ATOM 1374 N GLU A 90 5.445 -15.435 -6.003 1.00 0.00 N ATOM 1375 CA GLU A 90 5.095 -15.203 -4.606 1.00 0.00 C ATOM 1376 C GLU A 90 4.352 -13.880 -4.444 1.00 0.00 C ATOM 1377 O GLU A 90 4.290 -13.073 -5.371 1.00 0.00 O ATOM 1378 CB GLU A 90 6.352 -15.205 -3.734 1.00 0.00 C ATOM 1379 CG GLU A 90 7.175 -16.477 -3.856 1.00 0.00 C ATOM 1380 CD GLU A 90 6.487 -17.679 -3.239 1.00 0.00 C ATOM 1381 OE1 GLU A 90 5.524 -18.189 -3.847 1.00 0.00 O ATOM 1382 OE2 GLU A 90 6.913 -18.108 -2.146 1.00 0.00 O ATOM 0 H GLU A 90 6.271 -14.928 -6.321 1.00 0.00 H new ATOM 0 HA GLU A 90 4.438 -16.011 -4.284 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.974 -14.352 -4.006 1.00 0.00 H new ATOM 0 HB3 GLU A 90 6.062 -15.069 -2.692 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.373 -16.677 -4.909 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.141 -16.328 -3.373 1.00 0.00 H new ATOM 1389 N SER A 91 3.789 -13.666 -3.259 1.00 0.00 N ATOM 1390 CA SER A 91 3.047 -12.443 -2.975 1.00 0.00 C ATOM 1391 C SER A 91 3.237 -12.017 -1.522 1.00 0.00 C ATOM 1392 O SER A 91 3.381 -12.855 -0.632 1.00 0.00 O ATOM 1393 CB SER A 91 1.559 -12.645 -3.269 1.00 0.00 C ATOM 1394 OG SER A 91 1.046 -13.758 -2.559 1.00 0.00 O ATOM 0 H SER A 91 3.833 -14.323 -2.480 1.00 0.00 H new ATOM 0 HA SER A 91 3.434 -11.654 -3.620 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.005 -11.747 -2.994 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.413 -12.794 -4.339 1.00 0.00 H new ATOM 0 HG SER A 91 0.093 -13.865 -2.762 1.00 0.00 H new ATOM 1400 N ALA A 92 3.235 -10.708 -1.291 1.00 0.00 N ATOM 1401 CA ALA A 92 3.405 -10.170 0.053 1.00 0.00 C ATOM 1402 C ALA A 92 2.075 -9.690 0.624 1.00 0.00 C ATOM 1403 O ALA A 92 1.383 -8.876 0.012 1.00 0.00 O ATOM 1404 CB ALA A 92 4.418 -9.035 0.043 1.00 0.00 C ATOM 0 H ALA A 92 3.118 -10.001 -2.017 1.00 0.00 H new ATOM 0 HA ALA A 92 3.778 -10.969 0.693 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.535 -8.643 1.053 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.378 -9.407 -0.315 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.068 -8.241 -0.616 1.00 0.00 H new ATOM 1410 N SER A 93 1.723 -10.199 1.800 1.00 0.00 N ATOM 1411 CA SER A 93 0.473 -9.826 2.451 1.00 0.00 C ATOM 1412 C SER A 93 0.649 -8.555 3.277 1.00 0.00 C ATOM 1413 O SER A 93 1.578 -8.445 4.078 1.00 0.00 O ATOM 1414 CB SER A 93 -0.021 -10.964 3.346 1.00 0.00 C ATOM 1415 OG SER A 93 -1.096 -10.539 4.166 1.00 0.00 O ATOM 0 H SER A 93 2.286 -10.871 2.322 1.00 0.00 H new ATOM 0 HA SER A 93 -0.269 -9.636 1.675 1.00 0.00 H new ATOM 0 HB2 SER A 93 -0.340 -11.804 2.729 1.00 0.00 H new ATOM 0 HB3 SER A 93 0.798 -11.321 3.971 1.00 0.00 H new ATOM 0 HG SER A 93 -1.596 -11.321 4.481 1.00 0.00 H new ATOM 1421 N PHE A 94 -0.249 -7.596 3.076 1.00 0.00 N ATOM 1422 CA PHE A 94 -0.193 -6.332 3.800 1.00 0.00 C ATOM 1423 C PHE A 94 -1.575 -5.937 4.312 1.00 0.00 C ATOM 1424 O PHE A 94 -2.410 -5.434 3.559 1.00 0.00 O ATOM 1425 CB PHE A 94 0.363 -5.228 2.899 1.00 0.00 C ATOM 1426 CG PHE A 94 1.852 -5.299 2.713 1.00 0.00 C ATOM 1427 CD1 PHE A 94 2.710 -4.842 3.700 1.00 0.00 C ATOM 1428 CD2 PHE A 94 2.394 -5.823 1.550 1.00 0.00 C ATOM 1429 CE1 PHE A 94 4.080 -4.907 3.532 1.00 0.00 C ATOM 1430 CE2 PHE A 94 3.763 -5.890 1.377 1.00 0.00 C ATOM 1431 CZ PHE A 94 4.607 -5.431 2.368 1.00 0.00 C ATOM 0 H PHE A 94 -1.024 -7.671 2.417 1.00 0.00 H new ATOM 0 HA PHE A 94 0.469 -6.462 4.656 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -0.120 -5.288 1.924 1.00 0.00 H new ATOM 0 HB3 PHE A 94 0.104 -4.258 3.324 1.00 0.00 H new ATOM 0 HD1 PHE A 94 2.303 -4.430 4.612 1.00 0.00 H new ATOM 0 HD2 PHE A 94 1.739 -6.183 0.770 1.00 0.00 H new ATOM 0 HE1 PHE A 94 4.738 -4.548 4.310 1.00 0.00 H new ATOM 0 HE2 PHE A 94 4.173 -6.301 0.466 1.00 0.00 H new ATOM 0 HZ PHE A 94 5.677 -5.482 2.233 1.00 0.00 H new ATOM 1441 N THR A 95 -1.811 -6.170 5.600 1.00 0.00 N ATOM 1442 CA THR A 95 -3.091 -5.841 6.214 1.00 0.00 C ATOM 1443 C THR A 95 -3.176 -4.356 6.547 1.00 0.00 C ATOM 1444 O THR A 95 -2.371 -3.836 7.320 1.00 0.00 O ATOM 1445 CB THR A 95 -3.324 -6.658 7.499 1.00 0.00 C ATOM 1446 OG1 THR A 95 -3.409 -8.052 7.185 1.00 0.00 O ATOM 1447 CG2 THR A 95 -4.598 -6.212 8.200 1.00 0.00 C ATOM 0 H THR A 95 -1.132 -6.585 6.238 1.00 0.00 H new ATOM 0 HA THR A 95 -3.864 -6.092 5.487 1.00 0.00 H new ATOM 0 HB THR A 95 -2.481 -6.488 8.169 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.555 -8.564 8.008 1.00 0.00 H new ATOM 0 HG21 THR A 95 -4.742 -6.803 9.105 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.518 -5.158 8.464 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.449 -6.355 7.534 1.00 0.00 H new ATOM 1455 N VAL A 96 -4.157 -3.678 5.960 1.00 0.00 N ATOM 1456 CA VAL A 96 -4.348 -2.252 6.196 1.00 0.00 C ATOM 1457 C VAL A 96 -5.760 -1.961 6.691 1.00 0.00 C ATOM 1458 O VAL A 96 -6.682 -1.767 5.896 1.00 0.00 O ATOM 1459 CB VAL A 96 -4.084 -1.431 4.920 1.00 0.00 C ATOM 1460 CG1 VAL A 96 -4.340 0.047 5.172 1.00 0.00 C ATOM 1461 CG2 VAL A 96 -2.663 -1.658 4.425 1.00 0.00 C ATOM 0 H VAL A 96 -4.832 -4.093 5.318 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.630 -1.960 6.962 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.773 -1.767 4.145 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.148 0.610 4.259 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.377 0.190 5.475 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.679 0.401 5.963 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.494 -1.070 3.523 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.956 -1.351 5.196 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.520 -2.715 4.201 1.00 0.00 H new ATOM 1471 N THR A 97 -5.925 -1.931 8.010 1.00 0.00 N ATOM 1472 CA THR A 97 -7.226 -1.665 8.611 1.00 0.00 C ATOM 1473 C THR A 97 -7.436 -0.171 8.826 1.00 0.00 C ATOM 1474 O THR A 97 -6.656 0.483 9.518 1.00 0.00 O ATOM 1475 CB THR A 97 -7.380 -2.393 9.960 1.00 0.00 C ATOM 1476 OG1 THR A 97 -7.056 -3.779 9.809 1.00 0.00 O ATOM 1477 CG2 THR A 97 -8.799 -2.253 10.491 1.00 0.00 C ATOM 0 H THR A 97 -5.174 -2.088 8.682 1.00 0.00 H new ATOM 0 HA THR A 97 -7.978 -2.039 7.917 1.00 0.00 H new ATOM 0 HB THR A 97 -6.695 -1.937 10.674 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.155 -4.234 10.671 1.00 0.00 H new ATOM 0 HG21 THR A 97 -8.884 -2.775 11.444 1.00 0.00 H new ATOM 0 HG22 THR A 97 -9.032 -1.198 10.633 1.00 0.00 H new ATOM 0 HG23 THR A 97 -9.499 -2.686 9.777 1.00 0.00 H new ATOM 1485 N VAL A 98 -8.496 0.365 8.229 1.00 0.00 N ATOM 1486 CA VAL A 98 -8.811 1.783 8.356 1.00 0.00 C ATOM 1487 C VAL A 98 -10.001 2.000 9.284 1.00 0.00 C ATOM 1488 O VAL A 98 -10.902 1.165 9.363 1.00 0.00 O ATOM 1489 CB VAL A 98 -9.120 2.415 6.986 1.00 0.00 C ATOM 1490 CG1 VAL A 98 -9.352 3.911 7.128 1.00 0.00 C ATOM 1491 CG2 VAL A 98 -7.993 2.133 6.004 1.00 0.00 C ATOM 0 H VAL A 98 -9.152 -0.162 7.652 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.930 2.266 8.779 1.00 0.00 H new ATOM 0 HB VAL A 98 -10.033 1.966 6.595 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -9.569 4.340 6.150 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -10.195 4.087 7.796 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -8.459 4.380 7.540 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -8.227 2.587 5.041 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -7.063 2.554 6.387 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.880 1.056 5.880 1.00 0.00 H new ATOM 1501 N THR A 99 -9.998 3.130 9.986 1.00 0.00 N ATOM 1502 CA THR A 99 -11.077 3.458 10.909 1.00 0.00 C ATOM 1503 C THR A 99 -11.436 4.937 10.832 1.00 0.00 C ATOM 1504 O THR A 99 -10.869 5.681 10.033 1.00 0.00 O ATOM 1505 CB THR A 99 -10.700 3.107 12.361 1.00 0.00 C ATOM 1506 OG1 THR A 99 -9.404 3.631 12.671 1.00 0.00 O ATOM 1507 CG2 THR A 99 -10.708 1.601 12.574 1.00 0.00 C ATOM 0 H THR A 99 -9.260 3.832 9.932 1.00 0.00 H new ATOM 0 HA THR A 99 -11.940 2.862 10.611 1.00 0.00 H new ATOM 0 HB THR A 99 -11.441 3.555 13.023 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.173 3.405 13.596 1.00 0.00 H new ATOM 0 HG21 THR A 99 -10.439 1.378 13.606 1.00 0.00 H new ATOM 0 HG22 THR A 99 -11.704 1.209 12.366 1.00 0.00 H new ATOM 0 HG23 THR A 99 -9.987 1.135 11.902 1.00 0.00 H new ATOM 1515 N GLU A 100 -12.380 5.357 11.669 1.00 0.00 N ATOM 1516 CA GLU A 100 -12.813 6.749 11.694 1.00 0.00 C ATOM 1517 C GLU A 100 -11.894 7.589 12.576 1.00 0.00 C ATOM 1518 O GLU A 100 -11.546 7.208 13.694 1.00 0.00 O ATOM 1519 CB GLU A 100 -14.254 6.849 12.199 1.00 0.00 C ATOM 1520 CG GLU A 100 -15.243 6.036 11.382 1.00 0.00 C ATOM 1521 CD GLU A 100 -16.481 5.657 12.172 1.00 0.00 C ATOM 1522 OE1 GLU A 100 -16.335 4.991 13.218 1.00 0.00 O ATOM 1523 OE2 GLU A 100 -17.594 6.025 11.744 1.00 0.00 O ATOM 0 H GLU A 100 -12.859 4.754 12.338 1.00 0.00 H new ATOM 0 HA GLU A 100 -12.765 7.136 10.676 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -14.291 6.515 13.236 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -14.561 7.895 12.190 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -15.539 6.608 10.503 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -14.754 5.130 11.023 1.00 0.00 H new ATOM 1530 N PRO A 101 -11.491 8.761 12.063 1.00 0.00 N ATOM 1531 CA PRO A 101 -10.607 9.680 12.787 1.00 0.00 C ATOM 1532 C PRO A 101 -11.298 10.329 13.981 1.00 0.00 C ATOM 1533 O PRO A 101 -12.518 10.262 14.135 1.00 0.00 O ATOM 1534 CB PRO A 101 -10.254 10.735 11.736 1.00 0.00 C ATOM 1535 CG PRO A 101 -11.391 10.706 10.773 1.00 0.00 C ATOM 1536 CD PRO A 101 -11.867 9.280 10.738 1.00 0.00 C ATOM 0 HA PRO A 101 -9.740 9.167 13.204 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -10.142 11.721 12.187 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -9.311 10.502 11.242 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -12.189 11.376 11.091 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -11.073 11.036 9.784 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -12.943 9.220 10.574 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.390 8.717 9.936 1.00 0.00 H new ATOM 1544 N PRO A 102 -10.503 10.973 14.848 1.00 0.00 N ATOM 1545 CA PRO A 102 -11.017 11.648 16.044 1.00 0.00 C ATOM 1546 C PRO A 102 -11.822 12.897 15.703 1.00 0.00 C ATOM 1547 O PRO A 102 -11.799 13.373 14.568 1.00 0.00 O ATOM 1548 CB PRO A 102 -9.748 12.023 16.813 1.00 0.00 C ATOM 1549 CG PRO A 102 -8.687 12.116 15.771 1.00 0.00 C ATOM 1550 CD PRO A 102 -9.040 11.093 14.728 1.00 0.00 C ATOM 0 HA PRO A 102 -11.701 11.014 16.608 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.870 12.969 17.340 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.502 11.270 17.562 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -8.650 13.116 15.340 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.704 11.916 16.197 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -8.744 11.418 13.730 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.542 10.141 14.914 1.00 0.00 H new