USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=20 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 Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -63:sc= 0.181 USER MOD Single : A 20 LYS NZ :NH3+ -153:sc= -0.205 (180deg=-0.902) 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 35 CYS SG : rot 3:sc= 0.0342 USER MOD Single : A 38 CYS SG : rot 180:sc= -0.961 USER MOD Single : A 47 THR OG1 : rot -25:sc= 0.792 USER MOD Single : A 48 LYS NZ :NH3+ 174:sc= -0.0256 (180deg=-0.0708) USER MOD Single : A 56 SER OG : rot -80:sc= 0.84 USER MOD Single : A 62 GLN : amide:sc= -0.877 K(o=-0.88,f=-1.7!) USER MOD Single : A 63 LYS NZ :NH3+ -157:sc= -0.168 (180deg=-0.587) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.208 K(o=-0.21,f=-5.1!) USER MOD Single : A 80 SER OG : rot -68:sc= 1.18 USER MOD Single : A 83 TYR OH : rot -23:sc= 0.502 USER MOD Single : A 85 CYS SG : rot 90:sc= 0.0395! 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 11.327 -14.039 -4.444 1.00 0.00 N ATOM 131 CA TRP A 13 11.412 -12.663 -4.920 1.00 0.00 C ATOM 132 C TRP A 13 11.259 -11.678 -3.767 1.00 0.00 C ATOM 133 O TRP A 13 12.113 -10.817 -3.557 1.00 0.00 O ATOM 134 CB TRP A 13 10.337 -12.401 -5.977 1.00 0.00 C ATOM 135 CG TRP A 13 10.761 -12.785 -7.362 1.00 0.00 C ATOM 136 CD1 TRP A 13 10.188 -13.732 -8.162 1.00 0.00 C ATOM 137 CD2 TRP A 13 11.850 -12.232 -8.110 1.00 0.00 C ATOM 138 NE1 TRP A 13 10.854 -13.801 -9.362 1.00 0.00 N ATOM 139 CE2 TRP A 13 11.878 -12.890 -9.355 1.00 0.00 C ATOM 140 CE3 TRP A 13 12.802 -11.243 -7.849 1.00 0.00 C ATOM 141 CZ2 TRP A 13 12.821 -12.591 -10.334 1.00 0.00 C ATOM 142 CZ3 TRP A 13 13.739 -10.948 -8.822 1.00 0.00 C ATOM 143 CH2 TRP A 13 13.742 -11.619 -10.052 1.00 0.00 C ATOM 0 HA TRP A 13 12.395 -12.519 -5.368 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.436 -12.955 -5.714 1.00 0.00 H new ATOM 0 HB3 TRP A 13 10.076 -11.343 -5.965 1.00 0.00 H new ATOM 0 HD1 TRP A 13 9.336 -14.338 -7.891 1.00 0.00 H new ATOM 0 HE1 TRP A 13 10.624 -14.428 -10.133 1.00 0.00 H new ATOM 0 HE3 TRP A 13 12.806 -10.719 -6.905 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 12.826 -13.108 -11.282 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 14.481 -10.187 -8.631 1.00 0.00 H new ATOM 0 HH2 TRP A 13 14.486 -11.364 -10.792 1.00 0.00 H new ATOM 154 N ILE A 14 10.166 -11.811 -3.022 1.00 0.00 N ATOM 155 CA ILE A 14 9.904 -10.932 -1.889 1.00 0.00 C ATOM 156 C ILE A 14 10.896 -11.182 -0.758 1.00 0.00 C ATOM 157 O ILE A 14 10.667 -12.027 0.108 1.00 0.00 O ATOM 158 CB ILE A 14 8.472 -11.119 -1.352 1.00 0.00 C ATOM 159 CG1 ILE A 14 7.454 -10.932 -2.478 1.00 0.00 C ATOM 160 CG2 ILE A 14 8.201 -10.142 -0.217 1.00 0.00 C ATOM 161 CD1 ILE A 14 6.170 -11.704 -2.265 1.00 0.00 C ATOM 0 H ILE A 14 9.449 -12.518 -3.183 1.00 0.00 H new ATOM 0 HA ILE A 14 10.018 -9.910 -2.249 1.00 0.00 H new ATOM 0 HB ILE A 14 8.374 -12.133 -0.964 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.220 -9.872 -2.573 1.00 0.00 H new ATOM 0 HG13 ILE A 14 7.905 -11.244 -3.420 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.186 -10.286 0.152 1.00 0.00 H new ATOM 0 HG22 ILE A 14 8.910 -10.319 0.592 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.313 -9.121 -0.581 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.495 -11.525 -3.102 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.392 -12.769 -2.200 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.697 -11.375 -1.340 1.00 0.00 H new ATOM 173 N VAL A 15 11.999 -10.441 -0.771 1.00 0.00 N ATOM 174 CA VAL A 15 13.025 -10.579 0.255 1.00 0.00 C ATOM 175 C VAL A 15 12.553 -10.004 1.586 1.00 0.00 C ATOM 176 O VAL A 15 13.112 -10.310 2.640 1.00 0.00 O ATOM 177 CB VAL A 15 14.332 -9.878 -0.160 1.00 0.00 C ATOM 178 CG1 VAL A 15 14.151 -8.367 -0.160 1.00 0.00 C ATOM 179 CG2 VAL A 15 15.472 -10.287 0.762 1.00 0.00 C ATOM 0 H VAL A 15 12.205 -9.739 -1.481 1.00 0.00 H new ATOM 0 HA VAL A 15 13.215 -11.646 0.371 1.00 0.00 H new ATOM 0 HB VAL A 15 14.585 -10.190 -1.173 1.00 0.00 H new ATOM 0 HG11 VAL A 15 15.085 -7.889 -0.456 1.00 0.00 H new ATOM 0 HG12 VAL A 15 13.365 -8.095 -0.864 1.00 0.00 H new ATOM 0 HG13 VAL A 15 13.873 -8.034 0.840 1.00 0.00 H new ATOM 0 HG21 VAL A 15 16.388 -9.782 0.454 1.00 0.00 H new ATOM 0 HG22 VAL A 15 15.230 -10.006 1.787 1.00 0.00 H new ATOM 0 HG23 VAL A 15 15.616 -11.366 0.706 1.00 0.00 H new ATOM 189 N TYR A 16 11.521 -9.170 1.531 1.00 0.00 N ATOM 190 CA TYR A 16 10.974 -8.550 2.732 1.00 0.00 C ATOM 191 C TYR A 16 9.708 -7.762 2.410 1.00 0.00 C ATOM 192 O TYR A 16 9.580 -7.149 1.349 1.00 0.00 O ATOM 193 CB TYR A 16 12.013 -7.628 3.373 1.00 0.00 C ATOM 194 CG TYR A 16 11.424 -6.652 4.367 1.00 0.00 C ATOM 195 CD1 TYR A 16 10.636 -5.589 3.942 1.00 0.00 C ATOM 196 CD2 TYR A 16 11.657 -6.791 5.729 1.00 0.00 C ATOM 197 CE1 TYR A 16 10.097 -4.694 4.845 1.00 0.00 C ATOM 198 CE2 TYR A 16 11.121 -5.901 6.640 1.00 0.00 C ATOM 199 CZ TYR A 16 10.342 -4.855 6.193 1.00 0.00 C ATOM 200 OH TYR A 16 9.807 -3.965 7.097 1.00 0.00 O ATOM 0 H TYR A 16 11.046 -8.907 0.667 1.00 0.00 H new ATOM 0 HA TYR A 16 10.718 -9.342 3.435 1.00 0.00 H new ATOM 0 HB2 TYR A 16 12.765 -8.236 3.875 1.00 0.00 H new ATOM 0 HB3 TYR A 16 12.525 -7.071 2.589 1.00 0.00 H new ATOM 0 HD1 TYR A 16 10.442 -5.461 2.887 1.00 0.00 H new ATOM 0 HD2 TYR A 16 12.268 -7.609 6.082 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.487 -3.873 4.498 1.00 0.00 H new ATOM 0 HE2 TYR A 16 11.311 -6.024 7.696 1.00 0.00 H new ATOM 0 HH TYR A 16 10.074 -4.221 8.005 1.00 0.00 H new ATOM 210 N PRO A 17 8.749 -7.776 3.348 1.00 0.00 N ATOM 211 CA PRO A 17 8.890 -8.501 4.613 1.00 0.00 C ATOM 212 C PRO A 17 8.861 -10.014 4.421 1.00 0.00 C ATOM 213 O PRO A 17 8.483 -10.507 3.358 1.00 0.00 O ATOM 214 CB PRO A 17 7.676 -8.042 5.423 1.00 0.00 C ATOM 215 CG PRO A 17 6.669 -7.640 4.401 1.00 0.00 C ATOM 216 CD PRO A 17 7.453 -7.085 3.244 1.00 0.00 C ATOM 0 HA PRO A 17 9.845 -8.294 5.096 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.298 -8.843 6.058 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.929 -7.209 6.078 1.00 0.00 H new ATOM 0 HG2 PRO A 17 6.066 -8.493 4.090 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.983 -6.894 4.801 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.964 -7.290 2.292 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.567 -6.003 3.318 1.00 0.00 H new ATOM 224 N SER A 18 9.262 -10.745 5.456 1.00 0.00 N ATOM 225 CA SER A 18 9.285 -12.202 5.399 1.00 0.00 C ATOM 226 C SER A 18 8.068 -12.792 6.106 1.00 0.00 C ATOM 227 O SER A 18 8.199 -13.496 7.106 1.00 0.00 O ATOM 228 CB SER A 18 10.569 -12.739 6.035 1.00 0.00 C ATOM 229 OG SER A 18 10.644 -14.149 5.920 1.00 0.00 O ATOM 0 H SER A 18 9.575 -10.352 6.344 1.00 0.00 H new ATOM 0 HA SER A 18 9.255 -12.501 4.351 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.435 -12.285 5.553 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.604 -12.454 7.087 1.00 0.00 H new ATOM 0 HG SER A 18 9.899 -14.557 6.409 1.00 0.00 H new ATOM 235 N GLY A 19 6.884 -12.499 5.577 1.00 0.00 N ATOM 236 CA GLY A 19 5.661 -13.008 6.170 1.00 0.00 C ATOM 237 C GLY A 19 4.523 -12.009 6.097 1.00 0.00 C ATOM 238 O GLY A 19 4.522 -11.117 5.248 1.00 0.00 O ATOM 0 H GLY A 19 6.750 -11.919 4.749 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.368 -13.926 5.660 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.847 -13.267 7.212 1.00 0.00 H new ATOM 242 N LYS A 20 3.549 -12.158 6.989 1.00 0.00 N ATOM 243 CA LYS A 20 2.399 -11.263 7.023 1.00 0.00 C ATOM 244 C LYS A 20 2.712 -10.005 7.827 1.00 0.00 C ATOM 245 O LYS A 20 3.426 -10.058 8.829 1.00 0.00 O ATOM 246 CB LYS A 20 1.188 -11.978 7.627 1.00 0.00 C ATOM 247 CG LYS A 20 0.514 -12.947 6.671 1.00 0.00 C ATOM 248 CD LYS A 20 -0.947 -13.158 7.028 1.00 0.00 C ATOM 249 CE LYS A 20 -1.123 -14.318 7.997 1.00 0.00 C ATOM 250 NZ LYS A 20 -0.612 -15.596 7.429 1.00 0.00 N ATOM 0 H LYS A 20 3.534 -12.891 7.698 1.00 0.00 H new ATOM 0 HA LYS A 20 2.168 -10.971 5.999 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.504 -12.521 8.518 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.460 -11.233 7.949 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.589 -12.566 5.653 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.036 -13.903 6.693 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.349 -12.247 7.472 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.520 -13.350 6.121 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.598 -14.098 8.927 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.179 -14.427 8.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.123 -16.395 7.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.759 -15.602 6.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.404 -15.686 7.634 1.00 0.00 H new ATOM 264 N VAL A 21 2.173 -8.874 7.382 1.00 0.00 N ATOM 265 CA VAL A 21 2.394 -7.603 8.061 1.00 0.00 C ATOM 266 C VAL A 21 1.080 -6.859 8.274 1.00 0.00 C ATOM 267 O VAL A 21 0.240 -6.793 7.377 1.00 0.00 O ATOM 268 CB VAL A 21 3.359 -6.703 7.268 1.00 0.00 C ATOM 269 CG1 VAL A 21 3.420 -5.313 7.883 1.00 0.00 C ATOM 270 CG2 VAL A 21 4.744 -7.329 7.208 1.00 0.00 C ATOM 0 H VAL A 21 1.580 -8.812 6.554 1.00 0.00 H new ATOM 0 HA VAL A 21 2.839 -7.834 9.029 1.00 0.00 H new ATOM 0 HB VAL A 21 2.984 -6.608 6.249 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.107 -4.691 7.309 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.426 -4.865 7.869 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.770 -5.386 8.913 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.413 -6.679 6.644 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.130 -7.456 8.219 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.683 -8.301 6.718 1.00 0.00 H new ATOM 280 N TYR A 22 0.910 -6.299 9.466 1.00 0.00 N ATOM 281 CA TYR A 22 -0.302 -5.560 9.798 1.00 0.00 C ATOM 282 C TYR A 22 -0.032 -4.059 9.836 1.00 0.00 C ATOM 283 O TYR A 22 0.974 -3.611 10.385 1.00 0.00 O ATOM 284 CB TYR A 22 -0.854 -6.024 11.147 1.00 0.00 C ATOM 285 CG TYR A 22 -1.640 -7.314 11.068 1.00 0.00 C ATOM 286 CD1 TYR A 22 -1.094 -8.449 10.482 1.00 0.00 C ATOM 287 CD2 TYR A 22 -2.929 -7.397 11.581 1.00 0.00 C ATOM 288 CE1 TYR A 22 -1.808 -9.628 10.407 1.00 0.00 C ATOM 289 CE2 TYR A 22 -3.650 -8.573 11.512 1.00 0.00 C ATOM 290 CZ TYR A 22 -3.086 -9.686 10.924 1.00 0.00 C ATOM 291 OH TYR A 22 -3.801 -10.859 10.853 1.00 0.00 O ATOM 0 H TYR A 22 1.597 -6.343 10.219 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.042 -5.758 9.022 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.026 -6.155 11.843 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.494 -5.243 11.556 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.093 -8.408 10.078 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.374 -6.527 12.041 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.369 -10.500 9.946 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -4.650 -8.621 11.916 1.00 0.00 H new ATOM 0 HH TYR A 22 -4.682 -10.731 11.264 1.00 0.00 H new ATOM 301 N VAL A 23 -0.940 -3.286 9.247 1.00 0.00 N ATOM 302 CA VAL A 23 -0.802 -1.835 9.214 1.00 0.00 C ATOM 303 C VAL A 23 -2.138 -1.150 9.482 1.00 0.00 C ATOM 304 O VAL A 23 -3.150 -1.479 8.865 1.00 0.00 O ATOM 305 CB VAL A 23 -0.254 -1.354 7.857 1.00 0.00 C ATOM 306 CG1 VAL A 23 -0.066 0.155 7.862 1.00 0.00 C ATOM 307 CG2 VAL A 23 1.052 -2.061 7.530 1.00 0.00 C ATOM 0 H VAL A 23 -1.778 -3.641 8.787 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.095 -1.566 9.999 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.979 -1.603 7.083 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.322 0.477 6.895 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.024 0.640 8.048 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.639 0.431 8.646 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.425 -1.709 6.568 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.787 -1.845 8.305 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.881 -3.136 7.482 1.00 0.00 H new ATOM 317 N ALA A 24 -2.132 -0.195 10.406 1.00 0.00 N ATOM 318 CA ALA A 24 -3.343 0.538 10.754 1.00 0.00 C ATOM 319 C ALA A 24 -3.338 1.931 10.134 1.00 0.00 C ATOM 320 O ALA A 24 -2.294 2.577 10.043 1.00 0.00 O ATOM 321 CB ALA A 24 -3.487 0.632 12.266 1.00 0.00 C ATOM 0 H ALA A 24 -1.302 0.089 10.927 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.197 -0.008 10.352 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.396 1.182 12.511 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.544 -0.371 12.689 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.624 1.152 12.682 1.00 0.00 H new ATOM 327 N ALA A 25 -4.511 2.388 9.708 1.00 0.00 N ATOM 328 CA ALA A 25 -4.642 3.705 9.097 1.00 0.00 C ATOM 329 C ALA A 25 -5.951 4.372 9.505 1.00 0.00 C ATOM 330 O ALA A 25 -6.769 3.778 10.208 1.00 0.00 O ATOM 331 CB ALA A 25 -4.552 3.596 7.582 1.00 0.00 C ATOM 0 H ALA A 25 -5.384 1.865 9.775 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.821 4.327 9.454 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.651 4.587 7.139 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.588 3.170 7.305 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.352 2.953 7.215 1.00 0.00 H new ATOM 337 N VAL A 26 -6.143 5.610 9.060 1.00 0.00 N ATOM 338 CA VAL A 26 -7.354 6.357 9.378 1.00 0.00 C ATOM 339 C VAL A 26 -7.915 7.048 8.140 1.00 0.00 C ATOM 340 O VAL A 26 -7.195 7.286 7.170 1.00 0.00 O ATOM 341 CB VAL A 26 -7.091 7.414 10.468 1.00 0.00 C ATOM 342 CG1 VAL A 26 -8.362 7.700 11.252 1.00 0.00 C ATOM 343 CG2 VAL A 26 -5.974 6.957 11.394 1.00 0.00 C ATOM 0 H VAL A 26 -5.475 6.116 8.478 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.082 5.636 9.749 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.776 8.339 9.985 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.157 8.449 12.017 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.130 8.074 10.575 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.711 6.783 11.726 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.801 7.715 12.158 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.258 6.019 11.871 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.061 6.809 10.817 1.00 0.00 H new ATOM 353 N ARG A 27 -9.204 7.368 8.181 1.00 0.00 N ATOM 354 CA ARG A 27 -9.862 8.031 7.062 1.00 0.00 C ATOM 355 C ARG A 27 -8.992 9.155 6.508 1.00 0.00 C ATOM 356 O ARG A 27 -8.699 10.129 7.203 1.00 0.00 O ATOM 357 CB ARG A 27 -11.218 8.590 7.498 1.00 0.00 C ATOM 358 CG ARG A 27 -12.177 8.831 6.344 1.00 0.00 C ATOM 359 CD ARG A 27 -13.018 7.599 6.052 1.00 0.00 C ATOM 360 NE ARG A 27 -14.045 7.863 5.048 1.00 0.00 N ATOM 361 CZ ARG A 27 -15.199 8.463 5.317 1.00 0.00 C ATOM 362 NH1 ARG A 27 -15.472 8.860 6.553 1.00 0.00 N ATOM 363 NH2 ARG A 27 -16.084 8.668 4.349 1.00 0.00 N ATOM 0 H ARG A 27 -9.813 7.179 8.977 1.00 0.00 H new ATOM 0 HA ARG A 27 -10.017 7.292 6.275 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -11.678 7.897 8.203 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -11.061 9.528 8.030 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -12.830 9.671 6.582 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -11.613 9.108 5.453 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -12.372 6.792 5.706 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -13.491 7.256 6.972 1.00 0.00 H new ATOM 0 HE ARG A 27 -13.866 7.571 4.087 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -14.795 8.705 7.300 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -16.359 9.321 6.757 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -15.878 8.365 3.397 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -16.970 9.129 4.557 1.00 0.00 H new ATOM 377 N LEU A 28 -8.581 9.014 5.253 1.00 0.00 N ATOM 378 CA LEU A 28 -7.743 10.017 4.604 1.00 0.00 C ATOM 379 C LEU A 28 -6.386 10.121 5.294 1.00 0.00 C ATOM 380 O LEU A 28 -5.841 11.213 5.450 1.00 0.00 O ATOM 381 CB LEU A 28 -8.440 11.378 4.617 1.00 0.00 C ATOM 382 CG LEU A 28 -9.882 11.398 4.110 1.00 0.00 C ATOM 383 CD1 LEU A 28 -10.515 12.760 4.354 1.00 0.00 C ATOM 384 CD2 LEU A 28 -9.933 11.043 2.631 1.00 0.00 C ATOM 0 H LEU A 28 -8.814 8.215 4.664 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.582 9.708 3.571 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.430 11.759 5.638 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.854 12.070 4.012 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.451 10.650 4.663 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.541 12.755 3.987 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.513 12.976 5.422 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.945 13.526 3.828 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.967 11.062 2.288 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.348 11.767 2.063 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.520 10.045 2.482 1.00 0.00 H new ATOM 396 N GLU A 29 -5.846 8.977 5.702 1.00 0.00 N ATOM 397 CA GLU A 29 -4.552 8.941 6.373 1.00 0.00 C ATOM 398 C GLU A 29 -3.426 8.698 5.372 1.00 0.00 C ATOM 399 O GLU A 29 -3.664 8.245 4.252 1.00 0.00 O ATOM 400 CB GLU A 29 -4.539 7.850 7.446 1.00 0.00 C ATOM 401 CG GLU A 29 -3.221 7.747 8.194 1.00 0.00 C ATOM 402 CD GLU A 29 -2.883 9.012 8.958 1.00 0.00 C ATOM 403 OE1 GLU A 29 -3.397 9.181 10.083 1.00 0.00 O ATOM 404 OE2 GLU A 29 -2.104 9.833 8.430 1.00 0.00 O ATOM 0 H GLU A 29 -6.284 8.064 5.580 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.391 9.909 6.847 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.338 8.046 8.161 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.758 6.890 6.978 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.267 6.909 8.889 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.421 7.530 7.485 1.00 0.00 H new ATOM 411 N ARG A 30 -2.200 9.003 5.784 1.00 0.00 N ATOM 412 CA ARG A 30 -1.037 8.820 4.923 1.00 0.00 C ATOM 413 C ARG A 30 -0.226 7.603 5.357 1.00 0.00 C ATOM 414 O ARG A 30 0.610 7.690 6.257 1.00 0.00 O ATOM 415 CB ARG A 30 -0.156 10.070 4.948 1.00 0.00 C ATOM 416 CG ARG A 30 1.022 10.004 3.990 1.00 0.00 C ATOM 417 CD ARG A 30 2.204 9.273 4.609 1.00 0.00 C ATOM 418 NE ARG A 30 3.476 9.707 4.037 1.00 0.00 N ATOM 419 CZ ARG A 30 4.088 10.836 4.378 1.00 0.00 C ATOM 420 NH1 ARG A 30 3.547 11.639 5.283 1.00 0.00 N ATOM 421 NH2 ARG A 30 5.244 11.162 3.814 1.00 0.00 N ATOM 0 H ARG A 30 -1.986 9.378 6.708 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.391 8.654 3.906 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.766 10.939 4.701 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.218 10.220 5.961 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.719 9.498 3.074 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.323 11.014 3.711 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.213 9.445 5.685 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.086 8.200 4.458 1.00 0.00 H new ATOM 0 HE ARG A 30 3.919 9.111 3.338 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.659 11.391 5.719 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.019 12.505 5.543 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.664 10.546 3.118 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.713 12.029 4.076 1.00 0.00 H new ATOM 435 N VAL A 31 -0.479 6.469 4.712 1.00 0.00 N ATOM 436 CA VAL A 31 0.228 5.234 5.030 1.00 0.00 C ATOM 437 C VAL A 31 1.406 5.016 4.086 1.00 0.00 C ATOM 438 O VAL A 31 1.439 5.559 2.982 1.00 0.00 O ATOM 439 CB VAL A 31 -0.709 4.015 4.954 1.00 0.00 C ATOM 440 CG1 VAL A 31 -1.923 4.218 5.848 1.00 0.00 C ATOM 441 CG2 VAL A 31 -1.133 3.759 3.516 1.00 0.00 C ATOM 0 H VAL A 31 -1.169 6.380 3.966 1.00 0.00 H new ATOM 0 HA VAL A 31 0.598 5.335 6.050 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.167 3.139 5.311 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.574 3.346 5.781 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.597 4.349 6.880 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.469 5.104 5.524 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.795 2.894 3.480 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.657 4.633 3.130 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.251 3.566 2.905 1.00 0.00 H new ATOM 451 N VAL A 32 2.372 4.217 4.529 1.00 0.00 N ATOM 452 CA VAL A 32 3.551 3.925 3.723 1.00 0.00 C ATOM 453 C VAL A 32 3.956 2.461 3.852 1.00 0.00 C ATOM 454 O VAL A 32 4.421 2.024 4.905 1.00 0.00 O ATOM 455 CB VAL A 32 4.742 4.813 4.130 1.00 0.00 C ATOM 456 CG1 VAL A 32 5.984 4.437 3.336 1.00 0.00 C ATOM 457 CG2 VAL A 32 4.401 6.283 3.937 1.00 0.00 C ATOM 0 H VAL A 32 2.361 3.761 5.441 1.00 0.00 H new ATOM 0 HA VAL A 32 3.287 4.136 2.687 1.00 0.00 H new ATOM 0 HB VAL A 32 4.951 4.648 5.187 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.815 5.075 3.637 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.238 3.395 3.529 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.790 4.572 2.272 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.254 6.896 4.229 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.164 6.467 2.889 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.540 6.541 4.554 1.00 0.00 H new ATOM 467 N LEU A 33 3.776 1.707 2.773 1.00 0.00 N ATOM 468 CA LEU A 33 4.123 0.290 2.764 1.00 0.00 C ATOM 469 C LEU A 33 5.588 0.090 2.389 1.00 0.00 C ATOM 470 O LEU A 33 6.160 0.876 1.634 1.00 0.00 O ATOM 471 CB LEU A 33 3.226 -0.469 1.784 1.00 0.00 C ATOM 472 CG LEU A 33 1.945 -1.064 2.370 1.00 0.00 C ATOM 473 CD1 LEU A 33 1.255 -0.058 3.277 1.00 0.00 C ATOM 474 CD2 LEU A 33 1.008 -1.513 1.258 1.00 0.00 C ATOM 0 H LEU A 33 3.392 2.053 1.894 1.00 0.00 H new ATOM 0 HA LEU A 33 3.967 -0.103 3.769 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.951 0.208 0.975 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.808 -1.277 1.340 1.00 0.00 H new ATOM 0 HG LEU A 33 2.213 -1.936 2.967 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.346 -0.499 3.685 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.924 0.214 4.094 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.000 0.834 2.704 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.102 -1.934 1.694 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.748 -0.658 0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.503 -2.269 0.649 1.00 0.00 H new ATOM 486 N THR A 34 6.191 -0.969 2.921 1.00 0.00 N ATOM 487 CA THR A 34 7.588 -1.273 2.641 1.00 0.00 C ATOM 488 C THR A 34 7.745 -2.688 2.095 1.00 0.00 C ATOM 489 O THR A 34 7.344 -3.659 2.737 1.00 0.00 O ATOM 490 CB THR A 34 8.459 -1.124 3.903 1.00 0.00 C ATOM 491 OG1 THR A 34 8.192 0.133 4.536 1.00 0.00 O ATOM 492 CG2 THR A 34 9.937 -1.219 3.556 1.00 0.00 C ATOM 0 H THR A 34 5.733 -1.630 3.548 1.00 0.00 H new ATOM 0 HA THR A 34 7.922 -0.557 1.890 1.00 0.00 H new ATOM 0 HB THR A 34 8.211 -1.936 4.587 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.748 0.220 5.338 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.531 -1.111 4.463 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.142 -2.188 3.101 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.198 -0.426 2.855 1.00 0.00 H new ATOM 500 N CYS A 35 8.329 -2.797 0.907 1.00 0.00 N ATOM 501 CA CYS A 35 8.538 -4.094 0.274 1.00 0.00 C ATOM 502 C CYS A 35 9.871 -4.129 -0.466 1.00 0.00 C ATOM 503 O CYS A 35 10.039 -3.474 -1.493 1.00 0.00 O ATOM 504 CB CYS A 35 7.395 -4.402 -0.695 1.00 0.00 C ATOM 505 SG CYS A 35 7.119 -6.167 -0.972 1.00 0.00 S ATOM 0 H CYS A 35 8.666 -2.003 0.363 1.00 0.00 H new ATOM 0 HA CYS A 35 8.557 -4.853 1.056 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.477 -3.957 -0.311 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.605 -3.923 -1.652 1.00 0.00 H new ATOM 0 HG CYS A 35 7.924 -6.856 -0.219 1.00 0.00 H new ATOM 511 N GLU A 36 10.817 -4.898 0.066 1.00 0.00 N ATOM 512 CA GLU A 36 12.137 -5.016 -0.544 1.00 0.00 C ATOM 513 C GLU A 36 12.215 -6.250 -1.437 1.00 0.00 C ATOM 514 O GLU A 36 11.484 -7.222 -1.239 1.00 0.00 O ATOM 515 CB GLU A 36 13.217 -5.086 0.537 1.00 0.00 C ATOM 516 CG GLU A 36 14.624 -4.865 0.007 1.00 0.00 C ATOM 517 CD GLU A 36 15.542 -4.231 1.033 1.00 0.00 C ATOM 518 OE1 GLU A 36 15.728 -4.830 2.113 1.00 0.00 O ATOM 519 OE2 GLU A 36 16.074 -3.135 0.758 1.00 0.00 O ATOM 0 H GLU A 36 10.694 -5.448 0.916 1.00 0.00 H new ATOM 0 HA GLU A 36 12.306 -4.132 -1.160 1.00 0.00 H new ATOM 0 HB2 GLU A 36 13.004 -4.338 1.301 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.170 -6.060 1.023 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.043 -5.820 -0.309 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.579 -4.229 -0.877 1.00 0.00 H new ATOM 526 N LEU A 37 13.105 -6.204 -2.422 1.00 0.00 N ATOM 527 CA LEU A 37 13.280 -7.318 -3.348 1.00 0.00 C ATOM 528 C LEU A 37 14.731 -7.788 -3.367 1.00 0.00 C ATOM 529 O LEU A 37 15.646 -7.019 -3.070 1.00 0.00 O ATOM 530 CB LEU A 37 12.845 -6.909 -4.756 1.00 0.00 C ATOM 531 CG LEU A 37 11.506 -6.179 -4.860 1.00 0.00 C ATOM 532 CD1 LEU A 37 11.269 -5.697 -6.283 1.00 0.00 C ATOM 533 CD2 LEU A 37 10.369 -7.082 -4.405 1.00 0.00 C ATOM 0 H LEU A 37 13.717 -5.408 -2.600 1.00 0.00 H new ATOM 0 HA LEU A 37 12.655 -8.144 -3.007 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.618 -6.270 -5.182 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.796 -7.805 -5.374 1.00 0.00 H new ATOM 0 HG LEU A 37 11.537 -5.309 -4.204 1.00 0.00 H new ATOM 0 HD11 LEU A 37 10.311 -5.180 -6.337 1.00 0.00 H new ATOM 0 HD12 LEU A 37 12.067 -5.014 -6.573 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.259 -6.551 -6.960 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.424 -6.546 -4.486 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.337 -7.971 -5.034 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.531 -7.377 -3.368 1.00 0.00 H new ATOM 545 N CYS A 38 14.933 -9.052 -3.721 1.00 0.00 N ATOM 546 CA CYS A 38 16.273 -9.624 -3.781 1.00 0.00 C ATOM 547 C CYS A 38 17.059 -9.047 -4.954 1.00 0.00 C ATOM 548 O CYS A 38 18.274 -9.221 -5.046 1.00 0.00 O ATOM 549 CB CYS A 38 16.196 -11.147 -3.903 1.00 0.00 C ATOM 550 SG CYS A 38 15.101 -11.727 -5.220 1.00 0.00 S ATOM 0 H CYS A 38 14.186 -9.700 -3.971 1.00 0.00 H new ATOM 0 HA CYS A 38 16.792 -9.367 -2.858 1.00 0.00 H new ATOM 0 HB2 CYS A 38 17.198 -11.538 -4.080 1.00 0.00 H new ATOM 0 HB3 CYS A 38 15.856 -11.560 -2.954 1.00 0.00 H new ATOM 0 HG CYS A 38 15.104 -13.027 -5.246 1.00 0.00 H new ATOM 556 N ARG A 39 16.356 -8.361 -5.849 1.00 0.00 N ATOM 557 CA ARG A 39 16.987 -7.761 -7.018 1.00 0.00 C ATOM 558 C ARG A 39 16.433 -6.363 -7.278 1.00 0.00 C ATOM 559 O ARG A 39 15.254 -6.085 -7.055 1.00 0.00 O ATOM 560 CB ARG A 39 16.773 -8.643 -8.249 1.00 0.00 C ATOM 561 CG ARG A 39 17.064 -10.114 -8.002 1.00 0.00 C ATOM 562 CD ARG A 39 18.522 -10.340 -7.634 1.00 0.00 C ATOM 563 NE ARG A 39 19.347 -10.611 -8.808 1.00 0.00 N ATOM 564 CZ ARG A 39 20.561 -11.148 -8.745 1.00 0.00 C ATOM 565 NH1 ARG A 39 21.087 -11.469 -7.571 1.00 0.00 N ATOM 566 NH2 ARG A 39 21.250 -11.364 -9.857 1.00 0.00 N ATOM 0 H ARG A 39 15.350 -8.207 -5.787 1.00 0.00 H new ATOM 0 HA ARG A 39 18.056 -7.678 -6.820 1.00 0.00 H new ATOM 0 HB2 ARG A 39 15.742 -8.537 -8.587 1.00 0.00 H new ATOM 0 HB3 ARG A 39 17.411 -8.286 -9.057 1.00 0.00 H new ATOM 0 HG2 ARG A 39 16.424 -10.483 -7.200 1.00 0.00 H new ATOM 0 HG3 ARG A 39 16.820 -10.689 -8.895 1.00 0.00 H new ATOM 0 HD2 ARG A 39 18.906 -9.461 -7.116 1.00 0.00 H new ATOM 0 HD3 ARG A 39 18.595 -11.176 -6.939 1.00 0.00 H new ATOM 0 HE ARG A 39 18.971 -10.375 -9.726 1.00 0.00 H new ATOM 0 HH11 ARG A 39 20.560 -11.304 -6.714 1.00 0.00 H new ATOM 0 HH12 ARG A 39 22.019 -11.881 -7.525 1.00 0.00 H new ATOM 0 HH21 ARG A 39 20.848 -11.118 -10.762 1.00 0.00 H new ATOM 0 HH22 ARG A 39 22.182 -11.776 -9.808 1.00 0.00 H new ATOM 580 N PRO A 40 17.301 -5.462 -7.760 1.00 0.00 N ATOM 581 CA PRO A 40 16.921 -4.078 -8.061 1.00 0.00 C ATOM 582 C PRO A 40 15.997 -3.981 -9.270 1.00 0.00 C ATOM 583 O PRO A 40 14.989 -3.276 -9.237 1.00 0.00 O ATOM 584 CB PRO A 40 18.261 -3.398 -8.355 1.00 0.00 C ATOM 585 CG PRO A 40 19.153 -4.501 -8.810 1.00 0.00 C ATOM 586 CD PRO A 40 18.721 -5.724 -8.050 1.00 0.00 C ATOM 0 HA PRO A 40 16.366 -3.620 -7.242 1.00 0.00 H new ATOM 0 HB2 PRO A 40 18.156 -2.631 -9.123 1.00 0.00 H new ATOM 0 HB3 PRO A 40 18.659 -2.907 -7.467 1.00 0.00 H new ATOM 0 HG2 PRO A 40 19.063 -4.658 -9.885 1.00 0.00 H new ATOM 0 HG3 PRO A 40 20.198 -4.266 -8.609 1.00 0.00 H new ATOM 0 HD2 PRO A 40 18.850 -6.631 -8.641 1.00 0.00 H new ATOM 0 HD3 PRO A 40 19.300 -5.855 -7.136 1.00 0.00 H new ATOM 594 N TRP A 41 16.348 -4.692 -10.336 1.00 0.00 N ATOM 595 CA TRP A 41 15.549 -4.685 -11.556 1.00 0.00 C ATOM 596 C TRP A 41 14.380 -5.656 -11.446 1.00 0.00 C ATOM 597 O TRP A 41 13.982 -6.276 -12.432 1.00 0.00 O ATOM 598 CB TRP A 41 16.419 -5.047 -12.761 1.00 0.00 C ATOM 599 CG TRP A 41 17.537 -5.987 -12.425 1.00 0.00 C ATOM 600 CD1 TRP A 41 18.859 -5.672 -12.288 1.00 0.00 C ATOM 601 CD2 TRP A 41 17.431 -7.394 -12.187 1.00 0.00 C ATOM 602 NE1 TRP A 41 19.581 -6.799 -11.979 1.00 0.00 N ATOM 603 CE2 TRP A 41 18.729 -7.869 -11.910 1.00 0.00 C ATOM 604 CE3 TRP A 41 16.367 -8.300 -12.178 1.00 0.00 C ATOM 605 CZ2 TRP A 41 18.987 -9.208 -11.629 1.00 0.00 C ATOM 606 CZ3 TRP A 41 16.625 -9.629 -11.900 1.00 0.00 C ATOM 607 CH2 TRP A 41 17.926 -10.072 -11.628 1.00 0.00 C ATOM 0 H TRP A 41 17.180 -5.280 -10.380 1.00 0.00 H new ATOM 0 HA TRP A 41 15.150 -3.680 -11.694 1.00 0.00 H new ATOM 0 HB2 TRP A 41 15.792 -5.499 -13.530 1.00 0.00 H new ATOM 0 HB3 TRP A 41 16.837 -4.134 -13.186 1.00 0.00 H new ATOM 0 HD1 TRP A 41 19.275 -4.682 -12.405 1.00 0.00 H new ATOM 0 HE1 TRP A 41 20.589 -6.833 -11.826 1.00 0.00 H new ATOM 0 HE3 TRP A 41 15.361 -7.967 -12.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 19.989 -9.552 -11.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 15.810 -10.338 -11.892 1.00 0.00 H new ATOM 0 HH2 TRP A 41 18.095 -11.117 -11.413 1.00 0.00 H new ATOM 618 N ALA A 42 13.833 -5.785 -10.242 1.00 0.00 N ATOM 619 CA ALA A 42 12.708 -6.680 -10.005 1.00 0.00 C ATOM 620 C ALA A 42 11.388 -5.916 -10.013 1.00 0.00 C ATOM 621 O ALA A 42 11.115 -5.120 -9.115 1.00 0.00 O ATOM 622 CB ALA A 42 12.886 -7.414 -8.684 1.00 0.00 C ATOM 0 H ALA A 42 14.151 -5.280 -9.415 1.00 0.00 H new ATOM 0 HA ALA A 42 12.681 -7.411 -10.813 1.00 0.00 H new ATOM 0 HB1 ALA A 42 12.038 -8.079 -8.520 1.00 0.00 H new ATOM 0 HB2 ALA A 42 13.805 -7.999 -8.714 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.942 -6.691 -7.871 1.00 0.00 H new ATOM 628 N GLU A 43 10.573 -6.163 -11.034 1.00 0.00 N ATOM 629 CA GLU A 43 9.282 -5.496 -11.159 1.00 0.00 C ATOM 630 C GLU A 43 8.229 -6.183 -10.294 1.00 0.00 C ATOM 631 O GLU A 43 8.203 -7.409 -10.184 1.00 0.00 O ATOM 632 CB GLU A 43 8.829 -5.484 -12.620 1.00 0.00 C ATOM 633 CG GLU A 43 7.410 -4.975 -12.813 1.00 0.00 C ATOM 634 CD GLU A 43 6.912 -5.158 -14.233 1.00 0.00 C ATOM 635 OE1 GLU A 43 7.365 -4.407 -15.122 1.00 0.00 O ATOM 636 OE2 GLU A 43 6.070 -6.053 -14.456 1.00 0.00 O ATOM 0 H GLU A 43 10.784 -6.819 -11.786 1.00 0.00 H new ATOM 0 HA GLU A 43 9.397 -4.469 -10.813 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.511 -4.861 -13.198 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.902 -6.494 -13.022 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.744 -5.499 -12.128 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.369 -3.918 -12.551 1.00 0.00 H new ATOM 643 N VAL A 44 7.361 -5.384 -9.681 1.00 0.00 N ATOM 644 CA VAL A 44 6.305 -5.914 -8.826 1.00 0.00 C ATOM 645 C VAL A 44 4.946 -5.344 -9.215 1.00 0.00 C ATOM 646 O VAL A 44 4.853 -4.461 -10.068 1.00 0.00 O ATOM 647 CB VAL A 44 6.575 -5.602 -7.342 1.00 0.00 C ATOM 648 CG1 VAL A 44 7.952 -6.103 -6.933 1.00 0.00 C ATOM 649 CG2 VAL A 44 6.442 -4.110 -7.079 1.00 0.00 C ATOM 0 H VAL A 44 7.368 -4.367 -9.761 1.00 0.00 H new ATOM 0 HA VAL A 44 6.296 -6.995 -8.966 1.00 0.00 H new ATOM 0 HB VAL A 44 5.831 -6.122 -6.738 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.125 -5.874 -5.882 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.006 -7.181 -7.083 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.713 -5.613 -7.541 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.636 -3.908 -6.026 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.162 -3.567 -7.691 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.433 -3.785 -7.331 1.00 0.00 H new ATOM 659 N ARG A 45 3.894 -5.855 -8.584 1.00 0.00 N ATOM 660 CA ARG A 45 2.538 -5.397 -8.864 1.00 0.00 C ATOM 661 C ARG A 45 1.624 -5.640 -7.667 1.00 0.00 C ATOM 662 O ARG A 45 1.541 -6.755 -7.153 1.00 0.00 O ATOM 663 CB ARG A 45 1.981 -6.110 -10.098 1.00 0.00 C ATOM 664 CG ARG A 45 0.543 -5.739 -10.418 1.00 0.00 C ATOM 665 CD ARG A 45 0.070 -6.398 -11.705 1.00 0.00 C ATOM 666 NE ARG A 45 0.802 -5.909 -12.870 1.00 0.00 N ATOM 667 CZ ARG A 45 0.878 -6.570 -14.020 1.00 0.00 C ATOM 668 NH1 ARG A 45 0.269 -7.739 -14.158 1.00 0.00 N ATOM 669 NH2 ARG A 45 1.563 -6.060 -15.036 1.00 0.00 N ATOM 0 H ARG A 45 3.954 -6.586 -7.875 1.00 0.00 H new ATOM 0 HA ARG A 45 2.576 -4.325 -9.058 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.608 -5.874 -10.958 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.044 -7.187 -9.944 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.104 -6.041 -9.594 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.457 -4.656 -10.510 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.194 -7.478 -11.626 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.995 -6.208 -11.840 1.00 0.00 H new ATOM 0 HE ARG A 45 1.281 -5.011 -12.797 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.260 -8.134 -13.380 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.329 -8.244 -15.042 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.032 -5.160 -14.934 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.621 -6.568 -15.918 1.00 0.00 H new ATOM 683 N TRP A 46 0.942 -4.588 -7.228 1.00 0.00 N ATOM 684 CA TRP A 46 0.034 -4.687 -6.091 1.00 0.00 C ATOM 685 C TRP A 46 -1.373 -5.056 -6.548 1.00 0.00 C ATOM 686 O TRP A 46 -1.871 -4.531 -7.544 1.00 0.00 O ATOM 687 CB TRP A 46 0.004 -3.367 -5.320 1.00 0.00 C ATOM 688 CG TRP A 46 1.343 -2.961 -4.784 1.00 0.00 C ATOM 689 CD1 TRP A 46 2.363 -2.380 -5.483 1.00 0.00 C ATOM 690 CD2 TRP A 46 1.809 -3.107 -3.438 1.00 0.00 C ATOM 691 NE1 TRP A 46 3.434 -2.156 -4.652 1.00 0.00 N ATOM 692 CE2 TRP A 46 3.119 -2.592 -3.392 1.00 0.00 C ATOM 693 CE3 TRP A 46 1.245 -3.620 -2.267 1.00 0.00 C ATOM 694 CZ2 TRP A 46 3.872 -2.579 -2.222 1.00 0.00 C ATOM 695 CZ3 TRP A 46 1.994 -3.606 -1.106 1.00 0.00 C ATOM 696 CH2 TRP A 46 3.296 -3.088 -1.090 1.00 0.00 C ATOM 0 H TRP A 46 1.000 -3.658 -7.642 1.00 0.00 H new ATOM 0 HA TRP A 46 0.400 -5.475 -5.433 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.371 -2.580 -5.975 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.699 -3.454 -4.492 1.00 0.00 H new ATOM 0 HD1 TRP A 46 2.332 -2.133 -6.534 1.00 0.00 H new ATOM 0 HE1 TRP A 46 4.320 -1.733 -4.928 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.242 -4.020 -2.269 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 4.876 -2.181 -2.208 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 1.569 -4.001 -0.195 1.00 0.00 H new ATOM 0 HH2 TRP A 46 3.856 -3.091 -0.166 1.00 0.00 H new ATOM 707 N THR A 47 -2.011 -5.963 -5.814 1.00 0.00 N ATOM 708 CA THR A 47 -3.361 -6.402 -6.145 1.00 0.00 C ATOM 709 C THR A 47 -4.267 -6.362 -4.920 1.00 0.00 C ATOM 710 O THR A 47 -3.901 -6.843 -3.847 1.00 0.00 O ATOM 711 CB THR A 47 -3.361 -7.829 -6.724 1.00 0.00 C ATOM 712 OG1 THR A 47 -2.698 -8.723 -5.823 1.00 0.00 O ATOM 713 CG2 THR A 47 -2.671 -7.863 -8.079 1.00 0.00 C ATOM 0 H THR A 47 -1.614 -6.408 -4.986 1.00 0.00 H new ATOM 0 HA THR A 47 -3.743 -5.713 -6.898 1.00 0.00 H new ATOM 0 HB THR A 47 -4.396 -8.145 -6.853 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.066 -8.219 -5.268 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.683 -8.881 -8.468 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.195 -7.204 -8.771 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.639 -7.529 -7.970 1.00 0.00 H new ATOM 721 N LYS A 48 -5.454 -5.787 -5.086 1.00 0.00 N ATOM 722 CA LYS A 48 -6.415 -5.687 -3.995 1.00 0.00 C ATOM 723 C LYS A 48 -7.540 -6.703 -4.165 1.00 0.00 C ATOM 724 O LYS A 48 -8.422 -6.531 -5.007 1.00 0.00 O ATOM 725 CB LYS A 48 -6.997 -4.273 -3.929 1.00 0.00 C ATOM 726 CG LYS A 48 -7.385 -3.839 -2.526 1.00 0.00 C ATOM 727 CD LYS A 48 -8.550 -2.864 -2.546 1.00 0.00 C ATOM 728 CE LYS A 48 -8.870 -2.350 -1.151 1.00 0.00 C ATOM 729 NZ LYS A 48 -10.316 -2.030 -0.996 1.00 0.00 N ATOM 0 H LYS A 48 -5.773 -5.383 -5.967 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.892 -5.903 -3.063 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.267 -3.570 -4.329 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.875 -4.220 -4.572 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.652 -4.714 -1.934 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.528 -3.374 -2.038 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.312 -2.024 -3.199 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.429 -3.354 -2.965 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.583 -3.099 -0.413 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.277 -1.458 -0.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.512 -1.780 -0.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.562 -1.228 -1.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.885 -2.858 -1.263 1.00 0.00 H new ATOM 743 N ASP A 49 -7.504 -7.759 -3.360 1.00 0.00 N ATOM 744 CA ASP A 49 -8.522 -8.801 -3.421 1.00 0.00 C ATOM 745 C ASP A 49 -8.494 -9.511 -4.770 1.00 0.00 C ATOM 746 O ASP A 49 -9.536 -9.764 -5.373 1.00 0.00 O ATOM 747 CB ASP A 49 -9.909 -8.205 -3.173 1.00 0.00 C ATOM 748 CG ASP A 49 -10.886 -9.222 -2.618 1.00 0.00 C ATOM 749 OD1 ASP A 49 -10.592 -9.808 -1.555 1.00 0.00 O ATOM 750 OD2 ASP A 49 -11.944 -9.433 -3.247 1.00 0.00 O ATOM 0 H ASP A 49 -6.781 -7.916 -2.658 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.305 -9.532 -2.642 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.823 -7.371 -2.477 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.300 -7.802 -4.107 1.00 0.00 H new ATOM 755 N GLY A 50 -7.292 -9.830 -5.241 1.00 0.00 N ATOM 756 CA GLY A 50 -7.150 -10.507 -6.517 1.00 0.00 C ATOM 757 C GLY A 50 -7.040 -9.538 -7.678 1.00 0.00 C ATOM 758 O GLY A 50 -6.382 -9.828 -8.676 1.00 0.00 O ATOM 0 H GLY A 50 -6.414 -9.632 -4.761 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.264 -11.141 -6.492 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.007 -11.162 -6.675 1.00 0.00 H new ATOM 762 N GLU A 51 -7.689 -8.385 -7.548 1.00 0.00 N ATOM 763 CA GLU A 51 -7.663 -7.372 -8.596 1.00 0.00 C ATOM 764 C GLU A 51 -6.376 -6.556 -8.532 1.00 0.00 C ATOM 765 O GLU A 51 -5.737 -6.467 -7.484 1.00 0.00 O ATOM 766 CB GLU A 51 -8.875 -6.446 -8.471 1.00 0.00 C ATOM 767 CG GLU A 51 -10.207 -7.173 -8.543 1.00 0.00 C ATOM 768 CD GLU A 51 -11.315 -6.433 -7.819 1.00 0.00 C ATOM 769 OE1 GLU A 51 -11.912 -5.518 -8.424 1.00 0.00 O ATOM 770 OE2 GLU A 51 -11.585 -6.769 -6.647 1.00 0.00 O ATOM 0 H GLU A 51 -8.239 -8.130 -6.728 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.702 -7.881 -9.559 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.815 -5.909 -7.525 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.835 -5.700 -9.264 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.487 -7.308 -9.588 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.097 -8.168 -8.112 1.00 0.00 H new ATOM 777 N GLU A 52 -6.001 -5.962 -9.662 1.00 0.00 N ATOM 778 CA GLU A 52 -4.790 -5.155 -9.734 1.00 0.00 C ATOM 779 C GLU A 52 -5.109 -3.676 -9.535 1.00 0.00 C ATOM 780 O GLU A 52 -5.914 -3.099 -10.267 1.00 0.00 O ATOM 781 CB GLU A 52 -4.092 -5.361 -11.080 1.00 0.00 C ATOM 782 CG GLU A 52 -2.976 -4.365 -11.346 1.00 0.00 C ATOM 783 CD GLU A 52 -2.674 -4.208 -12.824 1.00 0.00 C ATOM 784 OE1 GLU A 52 -2.105 -5.148 -13.417 1.00 0.00 O ATOM 785 OE2 GLU A 52 -3.007 -3.144 -13.387 1.00 0.00 O ATOM 0 H GLU A 52 -6.519 -6.025 -10.538 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.123 -5.476 -8.934 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.683 -6.371 -11.117 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.831 -5.287 -11.878 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.252 -3.396 -10.931 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.074 -4.689 -10.827 1.00 0.00 H new ATOM 792 N VAL A 53 -4.473 -3.067 -8.539 1.00 0.00 N ATOM 793 CA VAL A 53 -4.688 -1.656 -8.244 1.00 0.00 C ATOM 794 C VAL A 53 -4.252 -0.777 -9.411 1.00 0.00 C ATOM 795 O VAL A 53 -3.262 -1.066 -10.083 1.00 0.00 O ATOM 796 CB VAL A 53 -3.924 -1.225 -6.978 1.00 0.00 C ATOM 797 CG1 VAL A 53 -4.512 -1.895 -5.745 1.00 0.00 C ATOM 798 CG2 VAL A 53 -2.443 -1.546 -7.114 1.00 0.00 C ATOM 0 H VAL A 53 -3.804 -3.529 -7.923 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.757 -1.527 -8.076 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.029 -0.146 -6.861 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.959 -1.578 -4.860 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.559 -1.610 -5.640 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.440 -2.978 -5.850 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.919 -1.235 -6.210 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.315 -2.619 -7.256 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.033 -1.015 -7.973 1.00 0.00 H new ATOM 808 N VAL A 54 -4.997 0.298 -9.646 1.00 0.00 N ATOM 809 CA VAL A 54 -4.687 1.221 -10.732 1.00 0.00 C ATOM 810 C VAL A 54 -4.396 2.619 -10.198 1.00 0.00 C ATOM 811 O VAL A 54 -5.203 3.195 -9.469 1.00 0.00 O ATOM 812 CB VAL A 54 -5.841 1.300 -11.748 1.00 0.00 C ATOM 813 CG1 VAL A 54 -7.096 1.852 -11.089 1.00 0.00 C ATOM 814 CG2 VAL A 54 -5.440 2.150 -12.944 1.00 0.00 C ATOM 0 H VAL A 54 -5.820 0.552 -9.099 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.799 0.835 -11.233 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.059 0.293 -12.103 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.901 1.901 -11.822 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.393 1.200 -10.268 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.895 2.852 -10.704 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.267 2.195 -13.652 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.194 3.158 -12.608 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.570 1.707 -13.430 1.00 0.00 H new ATOM 824 N GLU A 55 -3.239 3.159 -10.566 1.00 0.00 N ATOM 825 CA GLU A 55 -2.842 4.490 -10.124 1.00 0.00 C ATOM 826 C GLU A 55 -4.052 5.416 -10.035 1.00 0.00 C ATOM 827 O GLU A 55 -4.966 5.342 -10.856 1.00 0.00 O ATOM 828 CB GLU A 55 -1.803 5.081 -11.079 1.00 0.00 C ATOM 829 CG GLU A 55 -0.373 4.704 -10.730 1.00 0.00 C ATOM 830 CD GLU A 55 0.535 4.673 -11.945 1.00 0.00 C ATOM 831 OE1 GLU A 55 0.681 5.725 -12.602 1.00 0.00 O ATOM 832 OE2 GLU A 55 1.098 3.598 -12.238 1.00 0.00 O ATOM 0 H GLU A 55 -2.560 2.695 -11.169 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.401 4.399 -9.131 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.021 4.746 -12.093 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.895 6.167 -11.076 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.020 5.417 -10.005 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.366 3.725 -10.251 1.00 0.00 H new ATOM 839 N SER A 56 -4.049 6.288 -9.031 1.00 0.00 N ATOM 840 CA SER A 56 -5.147 7.227 -8.831 1.00 0.00 C ATOM 841 C SER A 56 -4.758 8.314 -7.834 1.00 0.00 C ATOM 842 O SER A 56 -3.743 8.224 -7.144 1.00 0.00 O ATOM 843 CB SER A 56 -6.393 6.489 -8.338 1.00 0.00 C ATOM 844 OG SER A 56 -6.054 5.231 -7.780 1.00 0.00 O ATOM 0 H SER A 56 -3.299 6.364 -8.344 1.00 0.00 H new ATOM 0 HA SER A 56 -5.368 7.699 -9.788 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.907 7.095 -7.591 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.087 6.348 -9.166 1.00 0.00 H new ATOM 0 HG SER A 56 -5.915 4.581 -8.500 1.00 0.00 H new ATOM 850 N PRO A 57 -5.586 9.367 -7.755 1.00 0.00 N ATOM 851 CA PRO A 57 -5.350 10.492 -6.846 1.00 0.00 C ATOM 852 C PRO A 57 -5.544 10.106 -5.383 1.00 0.00 C ATOM 853 O PRO A 57 -5.433 10.944 -4.490 1.00 0.00 O ATOM 854 CB PRO A 57 -6.403 11.519 -7.272 1.00 0.00 C ATOM 855 CG PRO A 57 -7.491 10.711 -7.891 1.00 0.00 C ATOM 856 CD PRO A 57 -6.814 9.540 -8.548 1.00 0.00 C ATOM 0 HA PRO A 57 -4.326 10.859 -6.910 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.769 12.088 -6.418 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.991 12.238 -7.981 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -8.205 10.377 -7.139 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -8.048 11.300 -8.620 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.439 8.647 -8.521 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.591 9.741 -9.596 1.00 0.00 H new ATOM 864 N ALA A 58 -5.835 8.831 -5.147 1.00 0.00 N ATOM 865 CA ALA A 58 -6.042 8.333 -3.792 1.00 0.00 C ATOM 866 C ALA A 58 -5.064 7.211 -3.464 1.00 0.00 C ATOM 867 O ALA A 58 -5.004 6.738 -2.328 1.00 0.00 O ATOM 868 CB ALA A 58 -7.476 7.854 -3.620 1.00 0.00 C ATOM 0 H ALA A 58 -5.933 8.124 -5.876 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.858 9.153 -3.098 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -7.617 7.485 -2.604 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -8.161 8.682 -3.803 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.679 7.051 -4.329 1.00 0.00 H new ATOM 874 N LEU A 59 -4.299 6.787 -4.465 1.00 0.00 N ATOM 875 CA LEU A 59 -3.323 5.719 -4.283 1.00 0.00 C ATOM 876 C LEU A 59 -2.043 6.013 -5.057 1.00 0.00 C ATOM 877 O LEU A 59 -2.000 5.882 -6.281 1.00 0.00 O ATOM 878 CB LEU A 59 -3.911 4.381 -4.736 1.00 0.00 C ATOM 879 CG LEU A 59 -2.964 3.181 -4.688 1.00 0.00 C ATOM 880 CD1 LEU A 59 -3.732 1.908 -4.368 1.00 0.00 C ATOM 881 CD2 LEU A 59 -2.217 3.039 -6.006 1.00 0.00 C ATOM 0 H LEU A 59 -4.336 7.167 -5.411 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.079 5.661 -3.222 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.778 4.159 -4.114 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.272 4.493 -5.758 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.234 3.349 -3.896 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.042 1.065 -4.338 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.221 2.012 -3.399 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.484 1.734 -5.137 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.548 2.180 -5.954 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.932 2.893 -6.816 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.635 3.942 -6.194 1.00 0.00 H new ATOM 893 N LEU A 60 -1.000 6.410 -4.336 1.00 0.00 N ATOM 894 CA LEU A 60 0.284 6.721 -4.955 1.00 0.00 C ATOM 895 C LEU A 60 1.248 5.545 -4.832 1.00 0.00 C ATOM 896 O LEU A 60 1.488 5.038 -3.735 1.00 0.00 O ATOM 897 CB LEU A 60 0.896 7.966 -4.310 1.00 0.00 C ATOM 898 CG LEU A 60 0.038 9.232 -4.348 1.00 0.00 C ATOM 899 CD1 LEU A 60 0.740 10.373 -3.629 1.00 0.00 C ATOM 900 CD2 LEU A 60 -0.278 9.618 -5.785 1.00 0.00 C ATOM 0 H LEU A 60 -1.018 6.524 -3.323 1.00 0.00 H new ATOM 0 HA LEU A 60 0.111 6.915 -6.013 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.124 7.737 -3.269 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.844 8.178 -4.805 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.901 9.028 -3.833 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.115 11.265 -3.666 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.915 10.095 -2.590 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.694 10.577 -4.115 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.889 10.521 -5.793 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.651 9.804 -6.325 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.823 8.807 -6.268 1.00 0.00 H new ATOM 912 N LEU A 61 1.798 5.116 -5.962 1.00 0.00 N ATOM 913 CA LEU A 61 2.738 4.001 -5.981 1.00 0.00 C ATOM 914 C LEU A 61 4.178 4.502 -5.982 1.00 0.00 C ATOM 915 O LEU A 61 4.624 5.133 -6.940 1.00 0.00 O ATOM 916 CB LEU A 61 2.491 3.121 -7.208 1.00 0.00 C ATOM 917 CG LEU A 61 1.101 2.493 -7.315 1.00 0.00 C ATOM 918 CD1 LEU A 61 1.025 1.566 -8.518 1.00 0.00 C ATOM 919 CD2 LEU A 61 0.755 1.742 -6.038 1.00 0.00 C ATOM 0 H LEU A 61 1.609 5.524 -6.878 1.00 0.00 H new ATOM 0 HA LEU A 61 2.580 3.409 -5.079 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.667 3.720 -8.101 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.231 2.320 -7.211 1.00 0.00 H new ATOM 0 HG LEU A 61 0.372 3.292 -7.451 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.028 1.128 -8.578 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.228 2.132 -9.427 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.764 0.772 -8.413 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.238 1.302 -6.132 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.488 0.953 -5.870 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.767 2.433 -5.195 1.00 0.00 H new ATOM 931 N GLN A 62 4.900 4.216 -4.904 1.00 0.00 N ATOM 932 CA GLN A 62 6.291 4.637 -4.782 1.00 0.00 C ATOM 933 C GLN A 62 7.238 3.496 -5.139 1.00 0.00 C ATOM 934 O GLN A 62 6.850 2.328 -5.134 1.00 0.00 O ATOM 935 CB GLN A 62 6.575 5.126 -3.360 1.00 0.00 C ATOM 936 CG GLN A 62 5.680 6.274 -2.921 1.00 0.00 C ATOM 937 CD GLN A 62 5.499 7.320 -4.004 1.00 0.00 C ATOM 938 OE1 GLN A 62 6.425 7.612 -4.761 1.00 0.00 O ATOM 939 NE2 GLN A 62 4.302 7.889 -4.084 1.00 0.00 N ATOM 0 H GLN A 62 4.545 3.695 -4.102 1.00 0.00 H new ATOM 0 HA GLN A 62 6.459 5.457 -5.481 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.451 4.294 -2.667 1.00 0.00 H new ATOM 0 HB3 GLN A 62 7.616 5.442 -3.295 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.705 5.880 -2.635 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.107 6.744 -2.035 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.563 7.616 -3.436 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.121 8.599 -4.794 1.00 0.00 H new ATOM 948 N LYS A 63 8.483 3.843 -5.448 1.00 0.00 N ATOM 949 CA LYS A 63 9.487 2.849 -5.807 1.00 0.00 C ATOM 950 C LYS A 63 10.884 3.320 -5.413 1.00 0.00 C ATOM 951 O LYS A 63 11.412 4.271 -5.988 1.00 0.00 O ATOM 952 CB LYS A 63 9.438 2.564 -7.310 1.00 0.00 C ATOM 953 CG LYS A 63 8.035 2.321 -7.837 1.00 0.00 C ATOM 954 CD LYS A 63 8.015 2.247 -9.355 1.00 0.00 C ATOM 955 CE LYS A 63 7.794 3.617 -9.977 1.00 0.00 C ATOM 956 NZ LYS A 63 6.462 4.179 -9.621 1.00 0.00 N ATOM 0 H LYS A 63 8.821 4.805 -5.457 1.00 0.00 H new ATOM 0 HA LYS A 63 9.265 1.931 -5.262 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.878 3.406 -7.845 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.055 1.692 -7.526 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.645 1.392 -7.421 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.376 3.122 -7.502 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.957 1.832 -9.712 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.225 1.568 -9.677 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.577 4.298 -9.643 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.878 3.542 -11.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.181 4.884 -10.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.758 3.414 -9.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.515 4.632 -8.686 1.00 0.00 H new ATOM 970 N GLU A 64 11.476 2.647 -4.432 1.00 0.00 N ATOM 971 CA GLU A 64 12.811 2.997 -3.963 1.00 0.00 C ATOM 972 C GLU A 64 13.877 2.203 -4.713 1.00 0.00 C ATOM 973 O GLU A 64 13.562 1.349 -5.542 1.00 0.00 O ATOM 974 CB GLU A 64 12.932 2.741 -2.460 1.00 0.00 C ATOM 975 CG GLU A 64 13.743 3.796 -1.726 1.00 0.00 C ATOM 976 CD GLU A 64 13.223 5.201 -1.963 1.00 0.00 C ATOM 977 OE1 GLU A 64 12.010 5.348 -2.222 1.00 0.00 O ATOM 978 OE2 GLU A 64 14.028 6.152 -1.890 1.00 0.00 O ATOM 0 H GLU A 64 11.052 1.856 -3.947 1.00 0.00 H new ATOM 0 HA GLU A 64 12.969 4.058 -4.157 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.933 2.696 -2.026 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.393 1.766 -2.302 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.728 3.582 -0.657 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.783 3.738 -2.048 1.00 0.00 H new ATOM 985 N ASP A 65 15.139 2.490 -4.415 1.00 0.00 N ATOM 986 CA ASP A 65 16.252 1.803 -5.059 1.00 0.00 C ATOM 987 C ASP A 65 15.902 0.345 -5.340 1.00 0.00 C ATOM 988 O ASP A 65 15.673 -0.041 -6.487 1.00 0.00 O ATOM 989 CB ASP A 65 17.503 1.879 -4.182 1.00 0.00 C ATOM 990 CG ASP A 65 18.344 3.106 -4.479 1.00 0.00 C ATOM 991 OD1 ASP A 65 18.372 3.536 -5.651 1.00 0.00 O ATOM 992 OD2 ASP A 65 18.975 3.634 -3.539 1.00 0.00 O ATOM 0 H ASP A 65 15.417 3.194 -3.731 1.00 0.00 H new ATOM 0 HA ASP A 65 16.452 2.300 -6.008 1.00 0.00 H new ATOM 0 HB2 ASP A 65 17.208 1.890 -3.133 1.00 0.00 H new ATOM 0 HB3 ASP A 65 18.105 0.983 -4.335 1.00 0.00 H new ATOM 997 N THR A 66 15.862 -0.463 -4.284 1.00 0.00 N ATOM 998 CA THR A 66 15.542 -1.879 -4.417 1.00 0.00 C ATOM 999 C THR A 66 14.321 -2.247 -3.581 1.00 0.00 C ATOM 1000 O THR A 66 13.970 -3.421 -3.460 1.00 0.00 O ATOM 1001 CB THR A 66 16.728 -2.765 -3.992 1.00 0.00 C ATOM 1002 OG1 THR A 66 17.488 -2.110 -2.971 1.00 0.00 O ATOM 1003 CG2 THR A 66 17.626 -3.073 -5.181 1.00 0.00 C ATOM 0 H THR A 66 16.047 -0.160 -3.328 1.00 0.00 H new ATOM 0 HA THR A 66 15.325 -2.057 -5.470 1.00 0.00 H new ATOM 0 HB THR A 66 16.331 -3.703 -3.603 1.00 0.00 H new ATOM 0 HG1 THR A 66 18.239 -2.681 -2.705 1.00 0.00 H new ATOM 0 HG21 THR A 66 18.457 -3.700 -4.857 1.00 0.00 H new ATOM 0 HG22 THR A 66 17.052 -3.598 -5.944 1.00 0.00 H new ATOM 0 HG23 THR A 66 18.014 -2.142 -5.595 1.00 0.00 H new ATOM 1011 N VAL A 67 13.677 -1.237 -3.006 1.00 0.00 N ATOM 1012 CA VAL A 67 12.494 -1.454 -2.182 1.00 0.00 C ATOM 1013 C VAL A 67 11.333 -0.583 -2.647 1.00 0.00 C ATOM 1014 O VAL A 67 11.464 0.635 -2.762 1.00 0.00 O ATOM 1015 CB VAL A 67 12.781 -1.158 -0.698 1.00 0.00 C ATOM 1016 CG1 VAL A 67 13.540 0.152 -0.552 1.00 0.00 C ATOM 1017 CG2 VAL A 67 11.486 -1.125 0.099 1.00 0.00 C ATOM 0 H VAL A 67 13.955 -0.260 -3.096 1.00 0.00 H new ATOM 0 HA VAL A 67 12.222 -2.504 -2.289 1.00 0.00 H new ATOM 0 HB VAL A 67 13.405 -1.958 -0.300 1.00 0.00 H new ATOM 0 HG11 VAL A 67 13.734 0.345 0.503 1.00 0.00 H new ATOM 0 HG12 VAL A 67 14.486 0.086 -1.089 1.00 0.00 H new ATOM 0 HG13 VAL A 67 12.944 0.966 -0.966 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.708 -0.915 1.145 1.00 0.00 H new ATOM 0 HG22 VAL A 67 10.835 -0.346 -0.297 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.986 -2.091 0.021 1.00 0.00 H new ATOM 1027 N ARG A 68 10.195 -1.217 -2.914 1.00 0.00 N ATOM 1028 CA ARG A 68 9.009 -0.500 -3.367 1.00 0.00 C ATOM 1029 C ARG A 68 8.118 -0.121 -2.188 1.00 0.00 C ATOM 1030 O ARG A 68 8.088 -0.816 -1.172 1.00 0.00 O ATOM 1031 CB ARG A 68 8.221 -1.353 -4.362 1.00 0.00 C ATOM 1032 CG ARG A 68 9.064 -1.885 -5.510 1.00 0.00 C ATOM 1033 CD ARG A 68 9.513 -0.767 -6.437 1.00 0.00 C ATOM 1034 NE ARG A 68 10.393 -1.254 -7.496 1.00 0.00 N ATOM 1035 CZ ARG A 68 11.701 -1.425 -7.343 1.00 0.00 C ATOM 1036 NH1 ARG A 68 12.278 -1.152 -6.181 1.00 0.00 N ATOM 1037 NH2 ARG A 68 12.436 -1.872 -8.354 1.00 0.00 N ATOM 0 H ARG A 68 10.070 -2.225 -2.824 1.00 0.00 H new ATOM 0 HA ARG A 68 9.336 0.415 -3.861 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.773 -2.193 -3.832 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.402 -0.759 -4.768 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.937 -2.402 -5.112 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.489 -2.619 -6.075 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.639 -0.292 -6.882 1.00 0.00 H new ATOM 0 HD3 ARG A 68 10.031 -0.002 -5.858 1.00 0.00 H new ATOM 0 HE ARG A 68 9.981 -1.475 -8.402 1.00 0.00 H new ATOM 0 HH11 ARG A 68 11.717 -0.809 -5.401 1.00 0.00 H new ATOM 0 HH12 ARG A 68 13.283 -1.285 -6.067 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.996 -2.084 -9.249 1.00 0.00 H new ATOM 0 HH22 ARG A 68 13.441 -2.003 -8.235 1.00 0.00 H new ATOM 1051 N ARG A 69 7.396 0.985 -2.330 1.00 0.00 N ATOM 1052 CA ARG A 69 6.506 1.457 -1.276 1.00 0.00 C ATOM 1053 C ARG A 69 5.201 1.986 -1.863 1.00 0.00 C ATOM 1054 O ARG A 69 5.178 2.518 -2.974 1.00 0.00 O ATOM 1055 CB ARG A 69 7.189 2.552 -0.455 1.00 0.00 C ATOM 1056 CG ARG A 69 8.335 2.044 0.405 1.00 0.00 C ATOM 1057 CD ARG A 69 8.493 2.873 1.670 1.00 0.00 C ATOM 1058 NE ARG A 69 9.866 2.855 2.167 1.00 0.00 N ATOM 1059 CZ ARG A 69 10.886 3.421 1.532 1.00 0.00 C ATOM 1060 NH1 ARG A 69 10.688 4.047 0.380 1.00 0.00 N ATOM 1061 NH2 ARG A 69 12.107 3.363 2.049 1.00 0.00 N ATOM 0 H ARG A 69 7.410 1.571 -3.165 1.00 0.00 H new ATOM 0 HA ARG A 69 6.276 0.614 -0.625 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.566 3.319 -1.131 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.448 3.029 0.187 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.157 1.002 0.671 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.262 2.073 -0.168 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.193 3.902 1.469 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.823 2.490 2.440 1.00 0.00 H new ATOM 0 HE ARG A 69 10.052 2.381 3.051 1.00 0.00 H new ATOM 0 HH11 ARG A 69 9.751 4.095 -0.020 1.00 0.00 H new ATOM 0 HH12 ARG A 69 11.473 4.481 -0.106 1.00 0.00 H new ATOM 0 HH21 ARG A 69 12.263 2.883 2.935 1.00 0.00 H new ATOM 0 HH22 ARG A 69 12.889 3.798 1.560 1.00 0.00 H new ATOM 1075 N LEU A 70 4.116 1.836 -1.111 1.00 0.00 N ATOM 1076 CA LEU A 70 2.806 2.298 -1.556 1.00 0.00 C ATOM 1077 C LEU A 70 2.249 3.353 -0.606 1.00 0.00 C ATOM 1078 O LEU A 70 1.743 3.030 0.469 1.00 0.00 O ATOM 1079 CB LEU A 70 1.835 1.120 -1.656 1.00 0.00 C ATOM 1080 CG LEU A 70 0.351 1.461 -1.518 1.00 0.00 C ATOM 1081 CD1 LEU A 70 -0.052 2.516 -2.538 1.00 0.00 C ATOM 1082 CD2 LEU A 70 -0.501 0.210 -1.679 1.00 0.00 C ATOM 0 H LEU A 70 4.118 1.398 -0.190 1.00 0.00 H new ATOM 0 HA LEU A 70 2.922 2.749 -2.541 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.987 0.630 -2.618 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.094 0.395 -0.885 1.00 0.00 H new ATOM 0 HG LEU A 70 0.183 1.866 -0.520 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.111 2.746 -2.425 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.535 3.420 -2.377 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.132 2.138 -3.544 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.554 0.472 -1.578 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.328 -0.224 -2.664 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.232 -0.515 -0.911 1.00 0.00 H new ATOM 1094 N VAL A 71 2.342 4.615 -1.010 1.00 0.00 N ATOM 1095 CA VAL A 71 1.845 5.718 -0.197 1.00 0.00 C ATOM 1096 C VAL A 71 0.437 6.123 -0.621 1.00 0.00 C ATOM 1097 O VAL A 71 0.137 6.208 -1.813 1.00 0.00 O ATOM 1098 CB VAL A 71 2.770 6.946 -0.289 1.00 0.00 C ATOM 1099 CG1 VAL A 71 2.145 8.140 0.417 1.00 0.00 C ATOM 1100 CG2 VAL A 71 4.138 6.627 0.295 1.00 0.00 C ATOM 0 H VAL A 71 2.758 4.900 -1.897 1.00 0.00 H new ATOM 0 HA VAL A 71 1.824 5.365 0.834 1.00 0.00 H new ATOM 0 HB VAL A 71 2.900 7.203 -1.340 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.813 8.998 0.341 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.191 8.381 -0.051 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.983 7.898 1.467 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.779 7.506 0.222 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.030 6.343 1.342 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.587 5.803 -0.260 1.00 0.00 H new ATOM 1110 N LEU A 72 -0.422 6.372 0.361 1.00 0.00 N ATOM 1111 CA LEU A 72 -1.799 6.769 0.089 1.00 0.00 C ATOM 1112 C LEU A 72 -2.113 8.119 0.727 1.00 0.00 C ATOM 1113 O LEU A 72 -2.282 8.235 1.941 1.00 0.00 O ATOM 1114 CB LEU A 72 -2.769 5.708 0.612 1.00 0.00 C ATOM 1115 CG LEU A 72 -2.831 4.404 -0.185 1.00 0.00 C ATOM 1116 CD1 LEU A 72 -1.611 3.543 0.103 1.00 0.00 C ATOM 1117 CD2 LEU A 72 -4.110 3.644 0.134 1.00 0.00 C ATOM 0 H LEU A 72 -0.190 6.306 1.352 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.918 6.861 -0.991 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.496 5.470 1.640 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.769 6.141 0.640 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.834 4.650 -1.247 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.673 2.620 -0.473 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.708 4.086 -0.177 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.576 3.306 1.166 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.137 2.719 -0.442 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.138 3.410 1.198 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.972 4.258 -0.125 1.00 0.00 H new ATOM 1129 N PRO A 73 -2.194 9.164 -0.109 1.00 0.00 N ATOM 1130 CA PRO A 73 -2.490 10.524 0.350 1.00 0.00 C ATOM 1131 C PRO A 73 -3.929 10.673 0.832 1.00 0.00 C ATOM 1132 O PRO A 73 -4.284 11.671 1.458 1.00 0.00 O ATOM 1133 CB PRO A 73 -2.253 11.379 -0.897 1.00 0.00 C ATOM 1134 CG PRO A 73 -2.466 10.449 -2.041 1.00 0.00 C ATOM 1135 CD PRO A 73 -2.003 9.098 -1.568 1.00 0.00 C ATOM 0 HA PRO A 73 -1.874 10.809 1.203 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.945 12.221 -0.937 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.245 11.794 -0.907 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.516 10.422 -2.332 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.901 10.771 -2.916 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.588 8.294 -2.014 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.960 8.916 -1.829 1.00 0.00 H new ATOM 1143 N ALA A 74 -4.754 9.674 0.535 1.00 0.00 N ATOM 1144 CA ALA A 74 -6.154 9.692 0.940 1.00 0.00 C ATOM 1145 C ALA A 74 -6.763 8.296 0.875 1.00 0.00 C ATOM 1146 O ALA A 74 -7.037 7.777 -0.207 1.00 0.00 O ATOM 1147 CB ALA A 74 -6.943 10.656 0.066 1.00 0.00 C ATOM 0 H ALA A 74 -4.476 8.842 0.015 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.203 10.033 1.974 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.987 10.660 0.379 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.530 11.660 0.167 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.878 10.340 -0.975 1.00 0.00 H new ATOM 1153 N VAL A 75 -6.972 7.692 2.041 1.00 0.00 N ATOM 1154 CA VAL A 75 -7.549 6.355 2.116 1.00 0.00 C ATOM 1155 C VAL A 75 -9.023 6.414 2.502 1.00 0.00 C ATOM 1156 O VAL A 75 -9.539 7.473 2.858 1.00 0.00 O ATOM 1157 CB VAL A 75 -6.798 5.476 3.134 1.00 0.00 C ATOM 1158 CG1 VAL A 75 -5.304 5.760 3.085 1.00 0.00 C ATOM 1159 CG2 VAL A 75 -7.346 5.697 4.535 1.00 0.00 C ATOM 0 H VAL A 75 -6.750 8.107 2.946 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.453 5.912 1.125 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.953 4.430 2.869 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.790 5.130 3.811 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.925 5.545 2.086 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.125 6.808 3.323 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.804 5.068 5.241 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.223 6.744 4.813 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.404 5.438 4.557 1.00 0.00 H new ATOM 1169 N GLN A 76 -9.694 5.269 2.430 1.00 0.00 N ATOM 1170 CA GLN A 76 -11.109 5.191 2.772 1.00 0.00 C ATOM 1171 C GLN A 76 -11.411 3.914 3.551 1.00 0.00 C ATOM 1172 O GLN A 76 -10.818 2.865 3.298 1.00 0.00 O ATOM 1173 CB GLN A 76 -11.965 5.244 1.506 1.00 0.00 C ATOM 1174 CG GLN A 76 -11.680 6.453 0.630 1.00 0.00 C ATOM 1175 CD GLN A 76 -12.205 7.744 1.227 1.00 0.00 C ATOM 1176 OE1 GLN A 76 -12.573 7.793 2.401 1.00 0.00 O ATOM 1177 NE2 GLN A 76 -12.241 8.798 0.421 1.00 0.00 N ATOM 0 H GLN A 76 -9.281 4.383 2.138 1.00 0.00 H new ATOM 0 HA GLN A 76 -11.352 6.046 3.403 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.797 4.337 0.925 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -13.018 5.251 1.789 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -10.604 6.540 0.476 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -12.131 6.301 -0.350 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -11.926 8.712 -0.545 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -12.584 9.694 0.768 1.00 0.00 H new ATOM 1186 N LEU A 77 -12.337 4.011 4.499 1.00 0.00 N ATOM 1187 CA LEU A 77 -12.718 2.864 5.315 1.00 0.00 C ATOM 1188 C LEU A 77 -12.883 1.614 4.456 1.00 0.00 C ATOM 1189 O LEU A 77 -12.629 0.500 4.911 1.00 0.00 O ATOM 1190 CB LEU A 77 -14.019 3.157 6.065 1.00 0.00 C ATOM 1191 CG LEU A 77 -13.994 4.359 7.009 1.00 0.00 C ATOM 1192 CD1 LEU A 77 -15.363 4.576 7.635 1.00 0.00 C ATOM 1193 CD2 LEU A 77 -12.937 4.168 8.087 1.00 0.00 C ATOM 0 H LEU A 77 -12.837 4.872 4.721 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.922 2.683 6.037 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -14.810 3.313 5.332 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.289 2.273 6.642 1.00 0.00 H new ATOM 0 HG LEU A 77 -13.738 5.246 6.430 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -15.325 5.436 8.304 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -16.097 4.759 6.850 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -15.649 3.689 8.200 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -12.933 5.033 8.750 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -13.163 3.270 8.663 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -11.957 4.063 7.621 1.00 0.00 H new ATOM 1205 N GLU A 78 -13.309 1.810 3.212 1.00 0.00 N ATOM 1206 CA GLU A 78 -13.506 0.698 2.289 1.00 0.00 C ATOM 1207 C GLU A 78 -12.170 0.191 1.755 1.00 0.00 C ATOM 1208 O GLU A 78 -12.004 -1.001 1.496 1.00 0.00 O ATOM 1209 CB GLU A 78 -14.404 1.125 1.126 1.00 0.00 C ATOM 1210 CG GLU A 78 -14.297 2.601 0.784 1.00 0.00 C ATOM 1211 CD GLU A 78 -14.562 2.881 -0.683 1.00 0.00 C ATOM 1212 OE1 GLU A 78 -15.741 3.074 -1.046 1.00 0.00 O ATOM 1213 OE2 GLU A 78 -13.590 2.907 -1.467 1.00 0.00 O ATOM 0 H GLU A 78 -13.524 2.727 2.821 1.00 0.00 H new ATOM 0 HA GLU A 78 -13.990 -0.112 2.834 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.147 0.537 0.245 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -15.440 0.892 1.373 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -15.007 3.163 1.391 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -13.301 2.959 1.044 1.00 0.00 H new ATOM 1220 N ASP A 79 -11.220 1.105 1.591 1.00 0.00 N ATOM 1221 CA ASP A 79 -9.897 0.752 1.088 1.00 0.00 C ATOM 1222 C ASP A 79 -9.243 -0.303 1.973 1.00 0.00 C ATOM 1223 O ASP A 79 -8.406 -1.080 1.515 1.00 0.00 O ATOM 1224 CB ASP A 79 -9.008 1.995 1.012 1.00 0.00 C ATOM 1225 CG ASP A 79 -7.968 1.896 -0.086 1.00 0.00 C ATOM 1226 OD1 ASP A 79 -8.164 1.088 -1.018 1.00 0.00 O ATOM 1227 OD2 ASP A 79 -6.958 2.627 -0.014 1.00 0.00 O ATOM 0 H ASP A 79 -11.341 2.096 1.799 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.015 0.338 0.087 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.630 2.873 0.841 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -8.508 2.140 1.970 1.00 0.00 H new ATOM 1232 N SER A 80 -9.630 -0.324 3.245 1.00 0.00 N ATOM 1233 CA SER A 80 -9.077 -1.281 4.196 1.00 0.00 C ATOM 1234 C SER A 80 -9.474 -2.707 3.825 1.00 0.00 C ATOM 1235 O SER A 80 -10.657 -3.035 3.750 1.00 0.00 O ATOM 1236 CB SER A 80 -9.557 -0.959 5.613 1.00 0.00 C ATOM 1237 OG SER A 80 -10.916 -1.319 5.786 1.00 0.00 O ATOM 0 H SER A 80 -10.324 0.311 3.640 1.00 0.00 H new ATOM 0 HA SER A 80 -7.990 -1.204 4.161 1.00 0.00 H new ATOM 0 HB2 SER A 80 -8.942 -1.491 6.338 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.432 0.106 5.809 1.00 0.00 H new ATOM 0 HG SER A 80 -11.482 -0.734 5.240 1.00 0.00 H new ATOM 1243 N GLY A 81 -8.474 -3.552 3.593 1.00 0.00 N ATOM 1244 CA GLY A 81 -8.737 -4.933 3.233 1.00 0.00 C ATOM 1245 C GLY A 81 -7.487 -5.789 3.264 1.00 0.00 C ATOM 1246 O GLY A 81 -6.840 -5.916 4.303 1.00 0.00 O ATOM 0 H GLY A 81 -7.486 -3.305 3.648 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.476 -5.349 3.918 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.173 -4.968 2.235 1.00 0.00 H new ATOM 1250 N GLU A 82 -7.146 -6.378 2.122 1.00 0.00 N ATOM 1251 CA GLU A 82 -5.966 -7.229 2.024 1.00 0.00 C ATOM 1252 C GLU A 82 -5.124 -6.853 0.808 1.00 0.00 C ATOM 1253 O GLU A 82 -5.445 -7.224 -0.322 1.00 0.00 O ATOM 1254 CB GLU A 82 -6.376 -8.701 1.939 1.00 0.00 C ATOM 1255 CG GLU A 82 -5.329 -9.657 2.485 1.00 0.00 C ATOM 1256 CD GLU A 82 -5.745 -11.110 2.362 1.00 0.00 C ATOM 1257 OE1 GLU A 82 -5.461 -11.720 1.310 1.00 0.00 O ATOM 1258 OE2 GLU A 82 -6.354 -11.636 3.317 1.00 0.00 O ATOM 0 H GLU A 82 -7.670 -6.281 1.252 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.366 -7.078 2.921 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.307 -8.842 2.488 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.579 -8.953 0.898 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.391 -9.505 1.952 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.141 -9.424 3.533 1.00 0.00 H new ATOM 1265 N TYR A 83 -4.045 -6.116 1.048 1.00 0.00 N ATOM 1266 CA TYR A 83 -3.158 -5.687 -0.027 1.00 0.00 C ATOM 1267 C TYR A 83 -2.091 -6.741 -0.306 1.00 0.00 C ATOM 1268 O TYR A 83 -1.186 -6.954 0.502 1.00 0.00 O ATOM 1269 CB TYR A 83 -2.495 -4.356 0.331 1.00 0.00 C ATOM 1270 CG TYR A 83 -3.300 -3.147 -0.089 1.00 0.00 C ATOM 1271 CD1 TYR A 83 -4.518 -2.856 0.512 1.00 0.00 C ATOM 1272 CD2 TYR A 83 -2.842 -2.296 -1.087 1.00 0.00 C ATOM 1273 CE1 TYR A 83 -5.257 -1.752 0.132 1.00 0.00 C ATOM 1274 CE2 TYR A 83 -3.574 -1.189 -1.473 1.00 0.00 C ATOM 1275 CZ TYR A 83 -4.780 -0.922 -0.861 1.00 0.00 C ATOM 1276 OH TYR A 83 -5.513 0.179 -1.244 1.00 0.00 O ATOM 0 H TYR A 83 -3.764 -5.803 1.977 1.00 0.00 H new ATOM 0 HA TYR A 83 -3.757 -5.556 -0.928 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -2.333 -4.318 1.408 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -1.513 -4.310 -0.140 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -4.894 -3.504 1.290 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -1.898 -2.503 -1.569 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -6.202 -1.540 0.610 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -3.203 -0.537 -2.250 1.00 0.00 H new ATOM 0 HH TYR A 83 -6.456 0.041 -1.014 1.00 0.00 H new ATOM 1286 N LEU A 84 -2.204 -7.399 -1.455 1.00 0.00 N ATOM 1287 CA LEU A 84 -1.249 -8.431 -1.843 1.00 0.00 C ATOM 1288 C LEU A 84 -0.341 -7.939 -2.965 1.00 0.00 C ATOM 1289 O LEU A 84 -0.806 -7.632 -4.063 1.00 0.00 O ATOM 1290 CB LEU A 84 -1.987 -9.695 -2.286 1.00 0.00 C ATOM 1291 CG LEU A 84 -2.188 -10.766 -1.213 1.00 0.00 C ATOM 1292 CD1 LEU A 84 -0.900 -11.545 -0.988 1.00 0.00 C ATOM 1293 CD2 LEU A 84 -2.665 -10.136 0.087 1.00 0.00 C ATOM 0 H LEU A 84 -2.948 -7.236 -2.134 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.630 -8.663 -0.976 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.965 -9.405 -2.669 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.439 -10.140 -3.116 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.953 -11.460 -1.560 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.062 -12.303 -0.221 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.600 -12.028 -1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.114 -10.863 -0.664 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.803 -10.913 0.839 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.923 -9.419 0.438 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.612 -9.624 -0.083 1.00 0.00 H new ATOM 1305 N CYS A 85 0.955 -7.868 -2.682 1.00 0.00 N ATOM 1306 CA CYS A 85 1.929 -7.415 -3.669 1.00 0.00 C ATOM 1307 C CYS A 85 2.608 -8.600 -4.348 1.00 0.00 C ATOM 1308 O CYS A 85 3.439 -9.279 -3.746 1.00 0.00 O ATOM 1309 CB CYS A 85 2.979 -6.522 -3.006 1.00 0.00 C ATOM 1310 SG CYS A 85 3.839 -5.418 -4.151 1.00 0.00 S ATOM 0 H CYS A 85 1.356 -8.118 -1.778 1.00 0.00 H new ATOM 0 HA CYS A 85 1.399 -6.840 -4.428 1.00 0.00 H new ATOM 0 HB2 CYS A 85 2.496 -5.923 -2.234 1.00 0.00 H new ATOM 0 HB3 CYS A 85 3.714 -7.153 -2.506 1.00 0.00 H new ATOM 0 HG CYS A 85 3.196 -4.291 -4.233 1.00 0.00 H new ATOM 1316 N GLU A 86 2.245 -8.843 -5.604 1.00 0.00 N ATOM 1317 CA GLU A 86 2.818 -9.948 -6.363 1.00 0.00 C ATOM 1318 C GLU A 86 4.001 -9.476 -7.204 1.00 0.00 C ATOM 1319 O GLU A 86 4.069 -8.312 -7.599 1.00 0.00 O ATOM 1320 CB GLU A 86 1.756 -10.580 -7.266 1.00 0.00 C ATOM 1321 CG GLU A 86 0.419 -10.793 -6.576 1.00 0.00 C ATOM 1322 CD GLU A 86 -0.344 -11.977 -7.136 1.00 0.00 C ATOM 1323 OE1 GLU A 86 -0.977 -11.823 -8.202 1.00 0.00 O ATOM 1324 OE2 GLU A 86 -0.309 -13.056 -6.509 1.00 0.00 O ATOM 0 H GLU A 86 1.558 -8.290 -6.116 1.00 0.00 H new ATOM 0 HA GLU A 86 3.174 -10.696 -5.654 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.608 -9.944 -8.139 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.125 -11.539 -7.630 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.585 -10.944 -5.509 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.187 -9.893 -6.680 1.00 0.00 H new ATOM 1331 N ILE A 87 4.929 -10.387 -7.472 1.00 0.00 N ATOM 1332 CA ILE A 87 6.109 -10.064 -8.266 1.00 0.00 C ATOM 1333 C ILE A 87 6.264 -11.029 -9.437 1.00 0.00 C ATOM 1334 O ILE A 87 6.197 -10.626 -10.599 1.00 0.00 O ATOM 1335 CB ILE A 87 7.390 -10.102 -7.412 1.00 0.00 C ATOM 1336 CG1 ILE A 87 8.628 -10.104 -8.310 1.00 0.00 C ATOM 1337 CG2 ILE A 87 7.385 -11.323 -6.504 1.00 0.00 C ATOM 1338 CD1 ILE A 87 9.831 -9.436 -7.682 1.00 0.00 C ATOM 0 H ILE A 87 4.888 -11.354 -7.152 1.00 0.00 H new ATOM 0 HA ILE A 87 5.966 -9.053 -8.647 1.00 0.00 H new ATOM 0 HB ILE A 87 7.419 -9.209 -6.787 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.884 -11.134 -8.560 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.389 -9.598 -9.246 1.00 0.00 H new ATOM 0 HG21 ILE A 87 8.297 -11.336 -5.907 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.519 -11.282 -5.843 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.336 -12.227 -7.111 1.00 0.00 H new ATOM 0 HD11 ILE A 87 10.672 -9.475 -8.375 1.00 0.00 H new ATOM 0 HD12 ILE A 87 9.594 -8.396 -7.457 1.00 0.00 H new ATOM 0 HD13 ILE A 87 10.096 -9.955 -6.761 1.00 0.00 H new ATOM 1350 N ASP A 88 6.468 -12.303 -9.124 1.00 0.00 N ATOM 1351 CA ASP A 88 6.630 -13.327 -10.150 1.00 0.00 C ATOM 1352 C ASP A 88 5.793 -14.559 -9.825 1.00 0.00 C ATOM 1353 O ASP A 88 4.777 -14.821 -10.470 1.00 0.00 O ATOM 1354 CB ASP A 88 8.103 -13.716 -10.285 1.00 0.00 C ATOM 1355 CG ASP A 88 8.464 -14.133 -11.697 1.00 0.00 C ATOM 1356 OD1 ASP A 88 7.832 -13.625 -12.646 1.00 0.00 O ATOM 1357 OD2 ASP A 88 9.379 -14.969 -11.853 1.00 0.00 O ATOM 0 H ASP A 88 6.525 -12.652 -8.167 1.00 0.00 H new ATOM 0 HA ASP A 88 6.283 -12.915 -11.098 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.727 -12.873 -9.987 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.324 -14.534 -9.600 1.00 0.00 H new ATOM 1362 N ASP A 89 6.226 -15.314 -8.821 1.00 0.00 N ATOM 1363 CA ASP A 89 5.516 -16.520 -8.409 1.00 0.00 C ATOM 1364 C ASP A 89 5.052 -16.410 -6.960 1.00 0.00 C ATOM 1365 O ASP A 89 4.195 -17.171 -6.514 1.00 0.00 O ATOM 1366 CB ASP A 89 6.412 -17.748 -8.579 1.00 0.00 C ATOM 1367 CG ASP A 89 6.877 -17.932 -10.011 1.00 0.00 C ATOM 1368 OD1 ASP A 89 7.292 -16.932 -10.634 1.00 0.00 O ATOM 1369 OD2 ASP A 89 6.826 -19.076 -10.508 1.00 0.00 O ATOM 0 H ASP A 89 7.065 -15.112 -8.277 1.00 0.00 H new ATOM 0 HA ASP A 89 4.638 -16.630 -9.045 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.281 -17.653 -7.927 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.869 -18.637 -8.259 1.00 0.00 H new ATOM 1374 N GLU A 90 5.626 -15.458 -6.231 1.00 0.00 N ATOM 1375 CA GLU A 90 5.273 -15.250 -4.832 1.00 0.00 C ATOM 1376 C GLU A 90 4.478 -13.959 -4.657 1.00 0.00 C ATOM 1377 O GLU A 90 4.403 -13.136 -5.569 1.00 0.00 O ATOM 1378 CB GLU A 90 6.533 -15.208 -3.965 1.00 0.00 C ATOM 1379 CG GLU A 90 7.406 -16.444 -4.100 1.00 0.00 C ATOM 1380 CD GLU A 90 6.777 -17.674 -3.475 1.00 0.00 C ATOM 1381 OE1 GLU A 90 6.238 -17.559 -2.354 1.00 0.00 O ATOM 1382 OE2 GLU A 90 6.824 -18.750 -4.105 1.00 0.00 O ATOM 0 H GLU A 90 6.337 -14.819 -6.586 1.00 0.00 H new ATOM 0 HA GLU A 90 4.650 -16.086 -4.514 1.00 0.00 H new ATOM 0 HB2 GLU A 90 7.119 -14.329 -4.233 1.00 0.00 H new ATOM 0 HB3 GLU A 90 6.242 -15.091 -2.921 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.598 -16.635 -5.156 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.371 -16.256 -3.630 1.00 0.00 H new ATOM 1389 N SER A 91 3.886 -13.791 -3.479 1.00 0.00 N ATOM 1390 CA SER A 91 3.093 -12.603 -3.186 1.00 0.00 C ATOM 1391 C SER A 91 3.314 -12.144 -1.747 1.00 0.00 C ATOM 1392 O SER A 91 3.520 -12.959 -0.849 1.00 0.00 O ATOM 1393 CB SER A 91 1.608 -12.884 -3.421 1.00 0.00 C ATOM 1394 OG SER A 91 1.192 -14.047 -2.725 1.00 0.00 O ATOM 0 H SER A 91 3.940 -14.462 -2.713 1.00 0.00 H new ATOM 0 HA SER A 91 3.415 -11.807 -3.857 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.017 -12.029 -3.093 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.423 -13.009 -4.488 1.00 0.00 H new ATOM 0 HG SER A 91 0.239 -14.204 -2.890 1.00 0.00 H new ATOM 1400 N ALA A 92 3.269 -10.832 -1.538 1.00 0.00 N ATOM 1401 CA ALA A 92 3.462 -10.264 -0.209 1.00 0.00 C ATOM 1402 C ALA A 92 2.134 -9.823 0.397 1.00 0.00 C ATOM 1403 O ALA A 92 1.379 -9.070 -0.218 1.00 0.00 O ATOM 1404 CB ALA A 92 4.431 -9.093 -0.272 1.00 0.00 C ATOM 0 H ALA A 92 3.101 -10.143 -2.271 1.00 0.00 H new ATOM 0 HA ALA A 92 3.885 -11.037 0.432 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.566 -8.678 0.727 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.392 -9.436 -0.655 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.030 -8.324 -0.933 1.00 0.00 H new ATOM 1410 N SER A 93 1.855 -10.297 1.607 1.00 0.00 N ATOM 1411 CA SER A 93 0.616 -9.954 2.295 1.00 0.00 C ATOM 1412 C SER A 93 0.770 -8.654 3.078 1.00 0.00 C ATOM 1413 O SER A 93 1.688 -8.508 3.886 1.00 0.00 O ATOM 1414 CB SER A 93 0.202 -11.085 3.239 1.00 0.00 C ATOM 1415 OG SER A 93 -0.806 -10.657 4.138 1.00 0.00 O ATOM 0 H SER A 93 2.470 -10.919 2.131 1.00 0.00 H new ATOM 0 HA SER A 93 -0.161 -9.815 1.543 1.00 0.00 H new ATOM 0 HB2 SER A 93 -0.161 -11.933 2.658 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.070 -11.431 3.800 1.00 0.00 H new ATOM 0 HG SER A 93 -1.054 -11.399 4.729 1.00 0.00 H new ATOM 1421 N PHE A 94 -0.135 -7.712 2.833 1.00 0.00 N ATOM 1422 CA PHE A 94 -0.100 -6.423 3.514 1.00 0.00 C ATOM 1423 C PHE A 94 -1.490 -6.028 4.003 1.00 0.00 C ATOM 1424 O PHE A 94 -2.316 -5.537 3.233 1.00 0.00 O ATOM 1425 CB PHE A 94 0.450 -5.344 2.579 1.00 0.00 C ATOM 1426 CG PHE A 94 1.944 -5.384 2.429 1.00 0.00 C ATOM 1427 CD1 PHE A 94 2.766 -4.851 3.408 1.00 0.00 C ATOM 1428 CD2 PHE A 94 2.526 -5.955 1.308 1.00 0.00 C ATOM 1429 CE1 PHE A 94 4.141 -4.887 3.273 1.00 0.00 C ATOM 1430 CE2 PHE A 94 3.900 -5.994 1.168 1.00 0.00 C ATOM 1431 CZ PHE A 94 4.709 -5.458 2.152 1.00 0.00 C ATOM 0 H PHE A 94 -0.901 -7.817 2.168 1.00 0.00 H new ATOM 0 HA PHE A 94 0.557 -6.515 4.379 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -0.009 -5.458 1.597 1.00 0.00 H new ATOM 0 HB3 PHE A 94 0.157 -4.364 2.956 1.00 0.00 H new ATOM 0 HD1 PHE A 94 2.327 -4.402 4.287 1.00 0.00 H new ATOM 0 HD2 PHE A 94 1.898 -6.374 0.535 1.00 0.00 H new ATOM 0 HE1 PHE A 94 4.771 -4.469 4.044 1.00 0.00 H new ATOM 0 HE2 PHE A 94 4.341 -6.443 0.290 1.00 0.00 H new ATOM 0 HZ PHE A 94 5.783 -5.486 2.044 1.00 0.00 H new ATOM 1441 N THR A 95 -1.743 -6.248 5.289 1.00 0.00 N ATOM 1442 CA THR A 95 -3.032 -5.918 5.882 1.00 0.00 C ATOM 1443 C THR A 95 -3.124 -4.431 6.206 1.00 0.00 C ATOM 1444 O THR A 95 -2.242 -3.871 6.856 1.00 0.00 O ATOM 1445 CB THR A 95 -3.283 -6.727 7.168 1.00 0.00 C ATOM 1446 OG1 THR A 95 -3.294 -8.128 6.871 1.00 0.00 O ATOM 1447 CG2 THR A 95 -4.604 -6.329 7.809 1.00 0.00 C ATOM 0 H THR A 95 -1.071 -6.654 5.940 1.00 0.00 H new ATOM 0 HA THR A 95 -3.793 -6.175 5.145 1.00 0.00 H new ATOM 0 HB THR A 95 -2.477 -6.511 7.870 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.452 -8.636 7.694 1.00 0.00 H new ATOM 0 HG21 THR A 95 -4.759 -6.914 8.716 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.581 -5.269 8.061 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.419 -6.519 7.111 1.00 0.00 H new ATOM 1455 N VAL A 96 -4.199 -3.796 5.748 1.00 0.00 N ATOM 1456 CA VAL A 96 -4.407 -2.373 5.990 1.00 0.00 C ATOM 1457 C VAL A 96 -5.792 -2.111 6.571 1.00 0.00 C ATOM 1458 O VAL A 96 -6.789 -2.102 5.849 1.00 0.00 O ATOM 1459 CB VAL A 96 -4.242 -1.553 4.696 1.00 0.00 C ATOM 1460 CG1 VAL A 96 -4.494 -0.077 4.964 1.00 0.00 C ATOM 1461 CG2 VAL A 96 -2.857 -1.768 4.104 1.00 0.00 C ATOM 0 H VAL A 96 -4.939 -4.245 5.208 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.649 -2.060 6.709 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.980 -1.896 3.971 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.373 0.487 4.039 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.508 0.056 5.340 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.782 0.285 5.705 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.757 -1.182 3.191 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.101 -1.452 4.823 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.720 -2.825 3.874 1.00 0.00 H new ATOM 1471 N THR A 97 -5.847 -1.898 7.882 1.00 0.00 N ATOM 1472 CA THR A 97 -7.109 -1.637 8.562 1.00 0.00 C ATOM 1473 C THR A 97 -7.321 -0.142 8.772 1.00 0.00 C ATOM 1474 O THR A 97 -6.483 0.537 9.366 1.00 0.00 O ATOM 1475 CB THR A 97 -7.171 -2.350 9.926 1.00 0.00 C ATOM 1476 OG1 THR A 97 -7.085 -3.767 9.742 1.00 0.00 O ATOM 1477 CG2 THR A 97 -8.460 -2.006 10.658 1.00 0.00 C ATOM 0 H THR A 97 -5.031 -1.901 8.494 1.00 0.00 H new ATOM 0 HA THR A 97 -7.900 -2.027 7.921 1.00 0.00 H new ATOM 0 HB THR A 97 -6.328 -2.010 10.528 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.123 -4.213 10.614 1.00 0.00 H new ATOM 0 HG21 THR A 97 -8.482 -2.521 11.618 1.00 0.00 H new ATOM 0 HG22 THR A 97 -8.509 -0.930 10.822 1.00 0.00 H new ATOM 0 HG23 THR A 97 -9.314 -2.321 10.058 1.00 0.00 H new ATOM 1485 N VAL A 98 -8.448 0.366 8.283 1.00 0.00 N ATOM 1486 CA VAL A 98 -8.771 1.782 8.420 1.00 0.00 C ATOM 1487 C VAL A 98 -9.938 1.989 9.379 1.00 0.00 C ATOM 1488 O VAL A 98 -10.938 1.272 9.323 1.00 0.00 O ATOM 1489 CB VAL A 98 -9.121 2.411 7.058 1.00 0.00 C ATOM 1490 CG1 VAL A 98 -9.299 3.915 7.195 1.00 0.00 C ATOM 1491 CG2 VAL A 98 -8.050 2.084 6.029 1.00 0.00 C ATOM 0 H VAL A 98 -9.152 -0.181 7.789 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.884 2.273 8.821 1.00 0.00 H new ATOM 0 HB VAL A 98 -10.064 1.987 6.713 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -9.546 4.342 6.223 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -10.105 4.123 7.898 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -8.374 4.359 7.562 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -8.314 2.536 5.073 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -7.091 2.478 6.365 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.977 1.003 5.911 1.00 0.00 H new ATOM 1501 N THR A 99 -9.804 2.975 10.260 1.00 0.00 N ATOM 1502 CA THR A 99 -10.847 3.278 11.232 1.00 0.00 C ATOM 1503 C THR A 99 -11.194 4.762 11.223 1.00 0.00 C ATOM 1504 O THR A 99 -10.548 5.555 10.539 1.00 0.00 O ATOM 1505 CB THR A 99 -10.422 2.871 12.656 1.00 0.00 C ATOM 1506 OG1 THR A 99 -9.122 3.396 12.948 1.00 0.00 O ATOM 1507 CG2 THR A 99 -10.408 1.357 12.805 1.00 0.00 C ATOM 0 H THR A 99 -8.983 3.578 10.320 1.00 0.00 H new ATOM 0 HA THR A 99 -11.725 2.701 10.943 1.00 0.00 H new ATOM 0 HB THR A 99 -11.146 3.283 13.359 1.00 0.00 H new ATOM 0 HG1 THR A 99 -8.860 3.134 13.855 1.00 0.00 H new ATOM 0 HG21 THR A 99 -10.105 1.094 13.818 1.00 0.00 H new ATOM 0 HG22 THR A 99 -11.406 0.963 12.611 1.00 0.00 H new ATOM 0 HG23 THR A 99 -9.703 0.928 12.093 1.00 0.00 H new ATOM 1515 N GLU A 100 -12.218 5.130 11.986 1.00 0.00 N ATOM 1516 CA GLU A 100 -12.651 6.521 12.064 1.00 0.00 C ATOM 1517 C GLU A 100 -11.728 7.327 12.972 1.00 0.00 C ATOM 1518 O GLU A 100 -11.341 6.887 14.055 1.00 0.00 O ATOM 1519 CB GLU A 100 -14.089 6.602 12.578 1.00 0.00 C ATOM 1520 CG GLU A 100 -15.080 5.807 11.745 1.00 0.00 C ATOM 1521 CD GLU A 100 -16.317 5.413 12.528 1.00 0.00 C ATOM 1522 OE1 GLU A 100 -16.942 6.304 13.139 1.00 0.00 O ATOM 1523 OE2 GLU A 100 -16.660 4.212 12.529 1.00 0.00 O ATOM 0 H GLU A 100 -12.763 4.485 12.559 1.00 0.00 H new ATOM 0 HA GLU A 100 -12.607 6.946 11.061 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -14.119 6.240 13.606 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -14.400 7.646 12.598 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -15.376 6.398 10.878 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -14.592 4.908 11.367 1.00 0.00 H new ATOM 1530 N PRO A 101 -11.365 8.538 12.522 1.00 0.00 N ATOM 1531 CA PRO A 101 -10.483 9.432 13.278 1.00 0.00 C ATOM 1532 C PRO A 101 -11.156 9.991 14.526 1.00 0.00 C ATOM 1533 O PRO A 101 -12.373 9.906 14.696 1.00 0.00 O ATOM 1534 CB PRO A 101 -10.182 10.557 12.284 1.00 0.00 C ATOM 1535 CG PRO A 101 -11.344 10.559 11.351 1.00 0.00 C ATOM 1536 CD PRO A 101 -11.788 9.126 11.240 1.00 0.00 C ATOM 0 HA PRO A 101 -9.594 8.916 13.641 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -10.080 11.516 12.791 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -9.248 10.376 11.752 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -12.149 11.189 11.731 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -11.061 10.957 10.376 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -12.866 9.049 11.099 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.319 8.624 10.394 1.00 0.00 H new ATOM 1544 N PRO A 102 -10.349 10.576 15.424 1.00 0.00 N ATOM 1545 CA PRO A 102 -10.845 11.161 16.673 1.00 0.00 C ATOM 1546 C PRO A 102 -11.662 12.427 16.435 1.00 0.00 C ATOM 1547 O PRO A 102 -11.859 12.846 15.295 1.00 0.00 O ATOM 1548 CB PRO A 102 -9.565 11.487 17.445 1.00 0.00 C ATOM 1549 CG PRO A 102 -8.523 11.661 16.395 1.00 0.00 C ATOM 1550 CD PRO A 102 -8.889 10.712 15.287 1.00 0.00 C ATOM 0 HA PRO A 102 -11.517 10.485 17.202 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.682 12.392 18.041 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.303 10.684 18.134 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -8.499 12.690 16.036 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.531 11.438 16.788 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -8.612 11.109 14.310 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.384 9.752 15.396 1.00 0.00 H new