USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 386 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: B 127 TYR OH : rot 180:sc= 0.0242 USER MOD Set 1.2: B 131 LYS NZ :NH3+ 177:sc= 0.721 (180deg=0.533) USER MOD Set 2.1: A 27 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 31 LYS NZ :NH3+ 166:sc= 0.102 (180deg=0.064) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : B 113 TYR OH : rot 180:sc= 0 USER MOD Single : B 115 SER OG : rot 93:sc= 0.0139 USER MOD ----------------------------------------------------------------- ATOM 136 N ILE A 10 12.152 8.484 -6.682 1.00 0.00 N ATOM 137 CA ILE A 10 12.914 9.700 -6.938 1.00 0.00 C ATOM 138 C ILE A 10 12.772 10.142 -8.390 1.00 0.00 C ATOM 139 O ILE A 10 12.342 11.256 -8.687 1.00 0.00 O ATOM 140 CB ILE A 10 14.407 9.507 -6.615 1.00 0.00 C ATOM 141 CG1 ILE A 10 14.675 9.803 -5.138 1.00 0.00 C ATOM 142 CG2 ILE A 10 15.261 10.399 -7.503 1.00 0.00 C ATOM 143 CD1 ILE A 10 15.289 8.641 -4.390 1.00 0.00 C ATOM 0 HA ILE A 10 12.506 10.471 -6.285 1.00 0.00 H new ATOM 0 HB ILE A 10 14.674 8.469 -6.812 1.00 0.00 H new ATOM 0 HG12 ILE A 10 15.339 10.664 -5.063 1.00 0.00 H new ATOM 0 HG13 ILE A 10 13.738 10.080 -4.656 1.00 0.00 H new ATOM 0 HG21 ILE A 10 16.314 10.251 -7.262 1.00 0.00 H new ATOM 0 HG22 ILE A 10 15.088 10.144 -8.549 1.00 0.00 H new ATOM 0 HG23 ILE A 10 14.994 11.442 -7.335 1.00 0.00 H new ATOM 0 HD11 ILE A 10 15.451 8.923 -3.350 1.00 0.00 H new ATOM 0 HD12 ILE A 10 14.617 7.784 -4.433 1.00 0.00 H new ATOM 0 HD13 ILE A 10 16.243 8.377 -4.847 1.00 0.00 H new ATOM 155 N PRO A 11 13.140 9.247 -9.319 1.00 0.00 N ATOM 156 CA PRO A 11 13.061 9.521 -10.757 1.00 0.00 C ATOM 157 C PRO A 11 11.622 9.592 -11.255 1.00 0.00 C ATOM 158 O PRO A 11 11.341 10.199 -12.289 1.00 0.00 O ATOM 159 CB PRO A 11 13.786 8.329 -11.386 1.00 0.00 C ATOM 160 CG PRO A 11 13.651 7.233 -10.386 1.00 0.00 C ATOM 161 CD PRO A 11 13.662 7.899 -9.038 1.00 0.00 C ATOM 0 HA PRO A 11 13.498 10.486 -11.012 1.00 0.00 H new ATOM 0 HB2 PRO A 11 13.338 8.052 -12.340 1.00 0.00 H new ATOM 0 HB3 PRO A 11 14.833 8.560 -11.581 1.00 0.00 H new ATOM 0 HG2 PRO A 11 12.726 6.677 -10.539 1.00 0.00 H new ATOM 0 HG3 PRO A 11 14.470 6.520 -10.476 1.00 0.00 H new ATOM 0 HD2 PRO A 11 13.036 7.367 -8.322 1.00 0.00 H new ATOM 0 HD3 PRO A 11 14.667 7.937 -8.617 1.00 0.00 H new ATOM 169 N VAL A 12 10.712 8.969 -10.513 1.00 0.00 N ATOM 170 CA VAL A 12 9.300 8.963 -10.878 1.00 0.00 C ATOM 171 C VAL A 12 8.705 10.364 -10.792 1.00 0.00 C ATOM 172 O VAL A 12 8.234 10.912 -11.790 1.00 0.00 O ATOM 173 CB VAL A 12 8.490 8.016 -9.973 1.00 0.00 C ATOM 174 CG1 VAL A 12 7.012 8.075 -10.326 1.00 0.00 C ATOM 175 CG2 VAL A 12 9.017 6.593 -10.084 1.00 0.00 C ATOM 0 H VAL A 12 10.927 8.462 -9.655 1.00 0.00 H new ATOM 0 HA VAL A 12 9.240 8.608 -11.907 1.00 0.00 H new ATOM 0 HB VAL A 12 8.605 8.342 -8.939 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.456 7.399 -9.676 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.646 9.093 -10.190 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.874 7.775 -11.365 1.00 0.00 H new ATOM 0 HG21 VAL A 12 8.433 5.937 -9.438 1.00 0.00 H new ATOM 0 HG22 VAL A 12 8.933 6.254 -11.116 1.00 0.00 H new ATOM 0 HG23 VAL A 12 10.063 6.567 -9.777 1.00 0.00 H new ATOM 185 N TYR A 13 8.728 10.938 -9.595 1.00 0.00 N ATOM 186 CA TYR A 13 8.189 12.275 -9.378 1.00 0.00 C ATOM 187 C TYR A 13 8.943 13.309 -10.209 1.00 0.00 C ATOM 188 O TYR A 13 8.343 14.214 -10.787 1.00 0.00 O ATOM 189 CB TYR A 13 8.264 12.644 -7.895 1.00 0.00 C ATOM 190 CG TYR A 13 7.146 12.051 -7.067 1.00 0.00 C ATOM 191 CD1 TYR A 13 6.924 10.680 -7.043 1.00 0.00 C ATOM 192 CD2 TYR A 13 6.312 12.863 -6.308 1.00 0.00 C ATOM 193 CE1 TYR A 13 5.903 10.135 -6.288 1.00 0.00 C ATOM 194 CE2 TYR A 13 5.290 12.327 -5.549 1.00 0.00 C ATOM 195 CZ TYR A 13 5.089 10.962 -5.543 1.00 0.00 C ATOM 196 OH TYR A 13 4.072 10.423 -4.789 1.00 0.00 O ATOM 0 H TYR A 13 9.114 10.498 -8.760 1.00 0.00 H new ATOM 0 HA TYR A 13 7.146 12.273 -9.693 1.00 0.00 H new ATOM 0 HB2 TYR A 13 9.220 12.308 -7.493 1.00 0.00 H new ATOM 0 HB3 TYR A 13 8.241 13.729 -7.797 1.00 0.00 H new ATOM 0 HD1 TYR A 13 7.560 10.029 -7.624 1.00 0.00 H new ATOM 0 HD2 TYR A 13 6.466 13.932 -6.312 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.743 9.067 -6.281 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.652 12.973 -4.964 1.00 0.00 H new ATOM 0 HH TYR A 13 3.594 11.141 -4.324 1.00 0.00 H new ATOM 206 N ALA A 14 10.263 13.165 -10.263 1.00 0.00 N ATOM 207 CA ALA A 14 11.101 14.084 -11.025 1.00 0.00 C ATOM 208 C ALA A 14 10.611 14.208 -12.464 1.00 0.00 C ATOM 209 O ALA A 14 10.349 15.310 -12.947 1.00 0.00 O ATOM 210 CB ALA A 14 12.550 13.622 -10.997 1.00 0.00 C ATOM 0 H ALA A 14 10.775 12.421 -9.789 1.00 0.00 H new ATOM 0 HA ALA A 14 11.035 15.068 -10.560 1.00 0.00 H new ATOM 0 HB1 ALA A 14 13.165 14.317 -11.569 1.00 0.00 H new ATOM 0 HB2 ALA A 14 12.902 13.591 -9.966 1.00 0.00 H new ATOM 0 HB3 ALA A 14 12.623 12.627 -11.436 1.00 0.00 H new ATOM 216 N SER A 15 10.490 13.072 -13.143 1.00 0.00 N ATOM 217 CA SER A 15 10.036 13.055 -14.529 1.00 0.00 C ATOM 218 C SER A 15 8.627 13.628 -14.646 1.00 0.00 C ATOM 219 O SER A 15 8.384 14.555 -15.420 1.00 0.00 O ATOM 220 CB SER A 15 10.067 11.629 -15.080 1.00 0.00 C ATOM 221 OG SER A 15 11.389 11.235 -15.405 1.00 0.00 O ATOM 0 H SER A 15 10.700 12.152 -12.756 1.00 0.00 H new ATOM 0 HA SER A 15 10.712 13.678 -15.115 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.651 10.942 -14.343 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.437 11.565 -15.967 1.00 0.00 H new ATOM 0 HG SER A 15 11.381 10.319 -15.753 1.00 0.00 H new ATOM 227 N ILE A 16 7.702 13.069 -13.873 1.00 0.00 N ATOM 228 CA ILE A 16 6.318 13.524 -13.889 1.00 0.00 C ATOM 229 C ILE A 16 6.234 15.038 -13.723 1.00 0.00 C ATOM 230 O ILE A 16 5.480 15.710 -14.428 1.00 0.00 O ATOM 231 CB ILE A 16 5.491 12.851 -12.777 1.00 0.00 C ATOM 232 CG1 ILE A 16 5.432 11.339 -13.000 1.00 0.00 C ATOM 233 CG2 ILE A 16 4.089 13.440 -12.728 1.00 0.00 C ATOM 234 CD1 ILE A 16 4.925 10.570 -11.800 1.00 0.00 C ATOM 0 H ILE A 16 7.886 12.301 -13.228 1.00 0.00 H new ATOM 0 HA ILE A 16 5.906 13.244 -14.858 1.00 0.00 H new ATOM 0 HB ILE A 16 5.976 13.040 -11.819 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.787 11.131 -13.854 1.00 0.00 H new ATOM 0 HG13 ILE A 16 6.428 10.979 -13.258 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.518 12.954 -11.937 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.150 14.509 -12.526 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.593 13.279 -13.685 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.910 9.505 -12.030 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.583 10.748 -10.949 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.916 10.902 -11.555 1.00 0.00 H new ATOM 246 N LEU A 17 7.015 15.569 -12.788 1.00 0.00 N ATOM 247 CA LEU A 17 7.031 17.005 -12.531 1.00 0.00 C ATOM 248 C LEU A 17 7.502 17.773 -13.761 1.00 0.00 C ATOM 249 O LEU A 17 6.990 18.850 -14.066 1.00 0.00 O ATOM 250 CB LEU A 17 7.940 17.319 -11.341 1.00 0.00 C ATOM 251 CG LEU A 17 7.242 17.502 -9.993 1.00 0.00 C ATOM 252 CD1 LEU A 17 6.227 18.631 -10.067 1.00 0.00 C ATOM 253 CD2 LEU A 17 6.571 16.206 -9.560 1.00 0.00 C ATOM 0 H LEU A 17 7.645 15.027 -12.196 1.00 0.00 H new ATOM 0 HA LEU A 17 6.014 17.319 -12.297 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.669 16.514 -11.244 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.497 18.228 -11.565 1.00 0.00 H new ATOM 0 HG LEU A 17 7.994 17.765 -9.249 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.740 18.747 -9.099 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.734 19.559 -10.332 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.478 18.398 -10.824 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.079 16.354 -8.599 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.831 15.913 -10.305 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.322 15.421 -9.466 1.00 0.00 H new ATOM 265 N ALA A 18 8.478 17.211 -14.466 1.00 0.00 N ATOM 266 CA ALA A 18 9.015 17.841 -15.666 1.00 0.00 C ATOM 267 C ALA A 18 7.940 17.983 -16.739 1.00 0.00 C ATOM 268 O ALA A 18 7.672 19.083 -17.221 1.00 0.00 O ATOM 269 CB ALA A 18 10.194 17.042 -16.200 1.00 0.00 C ATOM 0 H ALA A 18 8.913 16.320 -14.227 1.00 0.00 H new ATOM 0 HA ALA A 18 9.359 18.840 -15.399 1.00 0.00 H new ATOM 0 HB1 ALA A 18 10.584 17.524 -17.096 1.00 0.00 H new ATOM 0 HB2 ALA A 18 10.976 16.997 -15.442 1.00 0.00 H new ATOM 0 HB3 ALA A 18 9.867 16.031 -16.445 1.00 0.00 H new ATOM 275 N ALA A 19 7.328 16.863 -17.109 1.00 0.00 N ATOM 276 CA ALA A 19 6.282 16.863 -18.123 1.00 0.00 C ATOM 277 C ALA A 19 5.203 17.890 -17.799 1.00 0.00 C ATOM 278 O ALA A 19 4.737 18.615 -18.679 1.00 0.00 O ATOM 279 CB ALA A 19 5.671 15.475 -18.252 1.00 0.00 C ATOM 0 H ALA A 19 7.539 15.944 -16.721 1.00 0.00 H new ATOM 0 HA ALA A 19 6.734 17.139 -19.076 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.891 15.490 -19.013 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.444 14.762 -18.539 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.240 15.177 -17.296 1.00 0.00 H new ATOM 285 N VAL A 20 4.809 17.948 -16.531 1.00 0.00 N ATOM 286 CA VAL A 20 3.784 18.887 -16.091 1.00 0.00 C ATOM 287 C VAL A 20 4.244 20.329 -16.277 1.00 0.00 C ATOM 288 O VAL A 20 3.595 21.115 -16.967 1.00 0.00 O ATOM 289 CB VAL A 20 3.417 18.664 -14.612 1.00 0.00 C ATOM 290 CG1 VAL A 20 2.298 19.605 -14.191 1.00 0.00 C ATOM 291 CG2 VAL A 20 3.022 17.214 -14.374 1.00 0.00 C ATOM 0 H VAL A 20 5.184 17.356 -15.790 1.00 0.00 H new ATOM 0 HA VAL A 20 2.903 18.707 -16.708 1.00 0.00 H new ATOM 0 HB VAL A 20 4.293 18.884 -14.002 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.053 19.433 -13.143 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.622 20.637 -14.323 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.417 19.420 -14.805 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.766 17.074 -13.324 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.161 16.965 -14.994 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.856 16.562 -14.634 1.00 0.00 H new ATOM 301 N VAL A 21 5.369 20.670 -15.657 1.00 0.00 N ATOM 302 CA VAL A 21 5.918 22.018 -15.755 1.00 0.00 C ATOM 303 C VAL A 21 6.103 22.431 -17.211 1.00 0.00 C ATOM 304 O VAL A 21 5.744 23.541 -17.603 1.00 0.00 O ATOM 305 CB VAL A 21 7.270 22.128 -15.026 1.00 0.00 C ATOM 306 CG1 VAL A 21 7.845 23.528 -15.176 1.00 0.00 C ATOM 307 CG2 VAL A 21 7.114 21.761 -13.558 1.00 0.00 C ATOM 0 H VAL A 21 5.918 20.032 -15.081 1.00 0.00 H new ATOM 0 HA VAL A 21 5.202 22.687 -15.278 1.00 0.00 H new ATOM 0 HB VAL A 21 7.967 21.424 -15.481 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.800 23.587 -14.654 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.994 23.749 -16.233 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.153 24.253 -14.748 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.079 21.844 -13.058 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.402 22.439 -13.087 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.750 20.737 -13.476 1.00 0.00 H new ATOM 317 N VAL A 22 6.665 21.528 -18.009 1.00 0.00 N ATOM 318 CA VAL A 22 6.896 21.798 -19.423 1.00 0.00 C ATOM 319 C VAL A 22 5.582 22.015 -20.164 1.00 0.00 C ATOM 320 O VAL A 22 5.473 22.902 -21.010 1.00 0.00 O ATOM 321 CB VAL A 22 7.667 20.646 -20.095 1.00 0.00 C ATOM 322 CG1 VAL A 22 7.888 20.940 -21.571 1.00 0.00 C ATOM 323 CG2 VAL A 22 8.992 20.408 -19.387 1.00 0.00 C ATOM 0 H VAL A 22 6.968 20.604 -17.700 1.00 0.00 H new ATOM 0 HA VAL A 22 7.494 22.707 -19.478 1.00 0.00 H new ATOM 0 HB VAL A 22 7.070 19.738 -20.016 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.434 20.115 -22.029 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.924 21.057 -22.067 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.464 21.859 -21.677 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.524 19.591 -19.875 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.597 21.313 -19.433 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.806 20.149 -18.345 1.00 0.00 H new ATOM 333 N GLY A 23 4.584 21.198 -19.840 1.00 0.00 N ATOM 334 CA GLY A 23 3.289 21.317 -20.484 1.00 0.00 C ATOM 335 C GLY A 23 2.644 22.668 -20.244 1.00 0.00 C ATOM 336 O GLY A 23 2.049 23.250 -21.152 1.00 0.00 O ATOM 0 H GLY A 23 4.649 20.456 -19.143 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.404 21.158 -21.556 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.629 20.532 -20.114 1.00 0.00 H new ATOM 340 N LEU A 24 2.760 23.167 -19.019 1.00 0.00 N ATOM 341 CA LEU A 24 2.182 24.458 -18.662 1.00 0.00 C ATOM 342 C LEU A 24 2.975 25.602 -19.287 1.00 0.00 C ATOM 343 O LEU A 24 2.407 26.492 -19.919 1.00 0.00 O ATOM 344 CB LEU A 24 2.145 24.619 -17.141 1.00 0.00 C ATOM 345 CG LEU A 24 0.763 24.544 -16.491 1.00 0.00 C ATOM 346 CD1 LEU A 24 0.811 23.690 -15.234 1.00 0.00 C ATOM 347 CD2 LEU A 24 0.248 25.939 -16.171 1.00 0.00 C ATOM 0 H LEU A 24 3.249 22.698 -18.256 1.00 0.00 H new ATOM 0 HA LEU A 24 1.164 24.492 -19.050 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.775 23.847 -16.699 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.592 25.580 -16.887 1.00 0.00 H new ATOM 0 HG LEU A 24 0.075 24.078 -17.196 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.181 23.648 -14.785 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.136 22.682 -15.491 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.513 24.127 -14.524 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.737 25.866 -15.709 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.936 26.432 -15.484 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.175 26.520 -17.090 1.00 0.00 H new ATOM 359 N VAL A 25 4.291 25.570 -19.106 1.00 0.00 N ATOM 360 CA VAL A 25 5.163 26.602 -19.655 1.00 0.00 C ATOM 361 C VAL A 25 5.086 26.634 -21.177 1.00 0.00 C ATOM 362 O VAL A 25 4.783 27.667 -21.772 1.00 0.00 O ATOM 363 CB VAL A 25 6.628 26.383 -19.231 1.00 0.00 C ATOM 364 CG1 VAL A 25 7.525 27.452 -19.836 1.00 0.00 C ATOM 365 CG2 VAL A 25 6.746 26.372 -17.714 1.00 0.00 C ATOM 0 H VAL A 25 4.777 24.841 -18.584 1.00 0.00 H new ATOM 0 HA VAL A 25 4.815 27.555 -19.256 1.00 0.00 H new ATOM 0 HB VAL A 25 6.956 25.414 -19.606 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.556 27.281 -19.525 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.462 27.408 -20.923 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.201 28.435 -19.494 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.787 26.216 -17.431 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.400 27.326 -17.315 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.135 25.566 -17.307 1.00 0.00 H new ATOM 375 N ALA A 26 5.363 25.494 -21.802 1.00 0.00 N ATOM 376 CA ALA A 26 5.323 25.390 -23.256 1.00 0.00 C ATOM 377 C ALA A 26 3.982 25.869 -23.803 1.00 0.00 C ATOM 378 O ALA A 26 3.929 26.769 -24.642 1.00 0.00 O ATOM 379 CB ALA A 26 5.592 23.957 -23.691 1.00 0.00 C ATOM 0 H ALA A 26 5.618 24.630 -21.324 1.00 0.00 H new ATOM 0 HA ALA A 26 6.103 26.033 -23.664 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.559 23.895 -24.779 1.00 0.00 H new ATOM 0 HB2 ALA A 26 6.577 23.649 -23.340 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.833 23.299 -23.267 1.00 0.00 H new ATOM 385 N TYR A 27 2.902 25.261 -23.325 1.00 0.00 N ATOM 386 CA TYR A 27 1.562 25.623 -23.769 1.00 0.00 C ATOM 387 C TYR A 27 1.353 27.132 -23.696 1.00 0.00 C ATOM 388 O TYR A 27 1.207 27.800 -24.720 1.00 0.00 O ATOM 389 CB TYR A 27 0.510 24.909 -22.918 1.00 0.00 C ATOM 390 CG TYR A 27 -0.903 25.086 -23.428 1.00 0.00 C ATOM 391 CD1 TYR A 27 -1.272 24.622 -24.684 1.00 0.00 C ATOM 392 CD2 TYR A 27 -1.868 25.716 -22.652 1.00 0.00 C ATOM 393 CE1 TYR A 27 -2.561 24.782 -25.154 1.00 0.00 C ATOM 394 CE2 TYR A 27 -3.160 25.879 -23.113 1.00 0.00 C ATOM 395 CZ TYR A 27 -3.502 25.411 -24.365 1.00 0.00 C ATOM 396 OH TYR A 27 -4.787 25.571 -24.829 1.00 0.00 O ATOM 0 H TYR A 27 2.929 24.515 -22.630 1.00 0.00 H new ATOM 0 HA TYR A 27 1.454 25.310 -24.807 1.00 0.00 H new ATOM 0 HB2 TYR A 27 0.744 23.845 -22.883 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.568 25.282 -21.895 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.539 24.128 -25.304 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -1.604 26.085 -21.672 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -2.831 24.417 -26.134 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.898 26.370 -22.497 1.00 0.00 H new ATOM 0 HH TYR A 27 -5.324 26.032 -24.151 1.00 0.00 H new ATOM 406 N ILE A 28 1.340 27.663 -22.478 1.00 0.00 N ATOM 407 CA ILE A 28 1.150 29.093 -22.270 1.00 0.00 C ATOM 408 C ILE A 28 2.108 29.906 -23.135 1.00 0.00 C ATOM 409 O ILE A 28 1.686 30.768 -23.904 1.00 0.00 O ATOM 410 CB ILE A 28 1.356 29.480 -20.794 1.00 0.00 C ATOM 411 CG1 ILE A 28 0.338 28.758 -19.908 1.00 0.00 C ATOM 412 CG2 ILE A 28 1.243 30.987 -20.620 1.00 0.00 C ATOM 413 CD1 ILE A 28 0.845 28.475 -18.512 1.00 0.00 C ATOM 0 H ILE A 28 1.459 27.124 -21.620 1.00 0.00 H new ATOM 0 HA ILE A 28 0.123 29.320 -22.556 1.00 0.00 H new ATOM 0 HB ILE A 28 2.357 29.173 -20.490 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.567 29.362 -19.842 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.059 27.817 -20.382 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.391 31.244 -19.571 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.003 31.481 -21.226 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.254 31.317 -20.938 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.071 27.962 -17.941 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.733 27.845 -18.568 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.097 29.414 -18.019 1.00 0.00 H new ATOM 425 N ALA A 29 3.400 29.623 -23.004 1.00 0.00 N ATOM 426 CA ALA A 29 4.418 30.325 -23.776 1.00 0.00 C ATOM 427 C ALA A 29 4.042 30.386 -25.252 1.00 0.00 C ATOM 428 O ALA A 29 3.865 31.467 -25.814 1.00 0.00 O ATOM 429 CB ALA A 29 5.771 29.651 -23.601 1.00 0.00 C ATOM 0 H ALA A 29 3.766 28.912 -22.370 1.00 0.00 H new ATOM 0 HA ALA A 29 4.483 31.347 -23.402 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.522 30.186 -24.183 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.051 29.665 -22.548 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.711 28.619 -23.947 1.00 0.00 H new ATOM 435 N PHE A 30 3.922 29.219 -25.876 1.00 0.00 N ATOM 436 CA PHE A 30 3.569 29.140 -27.289 1.00 0.00 C ATOM 437 C PHE A 30 2.199 29.761 -27.542 1.00 0.00 C ATOM 438 O PHE A 30 1.887 30.172 -28.661 1.00 0.00 O ATOM 439 CB PHE A 30 3.576 27.684 -27.758 1.00 0.00 C ATOM 440 CG PHE A 30 4.955 27.138 -27.998 1.00 0.00 C ATOM 441 CD1 PHE A 30 5.755 27.659 -29.002 1.00 0.00 C ATOM 442 CD2 PHE A 30 5.450 26.104 -27.220 1.00 0.00 C ATOM 443 CE1 PHE A 30 7.024 27.158 -29.226 1.00 0.00 C ATOM 444 CE2 PHE A 30 6.718 25.599 -27.439 1.00 0.00 C ATOM 445 CZ PHE A 30 7.506 26.128 -28.442 1.00 0.00 C ATOM 0 H PHE A 30 4.064 28.315 -25.426 1.00 0.00 H new ATOM 0 HA PHE A 30 4.313 29.700 -27.856 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.075 27.068 -27.012 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.997 27.604 -28.678 1.00 0.00 H new ATOM 0 HD1 PHE A 30 5.383 28.466 -29.617 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.838 25.688 -26.433 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.638 27.571 -30.013 1.00 0.00 H new ATOM 0 HE2 PHE A 30 7.092 24.792 -26.827 1.00 0.00 H new ATOM 0 HZ PHE A 30 8.498 25.737 -28.613 1.00 0.00 H new ATOM 455 N LYS A 31 1.383 29.826 -26.496 1.00 0.00 N ATOM 456 CA LYS A 31 0.045 30.398 -26.602 1.00 0.00 C ATOM 457 C LYS A 31 0.100 31.921 -26.567 1.00 0.00 C ATOM 458 O LYS A 31 -0.806 32.596 -27.055 1.00 0.00 O ATOM 459 CB LYS A 31 -0.843 29.882 -25.468 1.00 0.00 C ATOM 460 CG LYS A 31 -1.990 30.816 -25.121 1.00 0.00 C ATOM 461 CD LYS A 31 -2.911 30.205 -24.079 1.00 0.00 C ATOM 462 CE LYS A 31 -4.312 29.989 -24.632 1.00 0.00 C ATOM 463 NZ LYS A 31 -4.456 28.652 -25.271 1.00 0.00 N1+ ATOM 0 H LYS A 31 1.624 29.489 -25.564 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.380 30.090 -27.557 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.249 28.910 -25.749 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.230 29.727 -24.580 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.592 31.759 -24.747 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.559 31.045 -26.022 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.501 29.253 -23.742 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.959 30.857 -23.207 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.040 30.087 -23.826 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.538 30.766 -25.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.464 28.446 -25.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.962 28.650 -26.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.042 27.925 -24.653 1.00 0.00 H new ATOM 477 N ARG A 32 1.170 32.457 -25.988 1.00 0.00 N ATOM 478 CA ARG A 32 1.342 33.902 -25.890 1.00 0.00 C ATOM 479 C ARG A 32 1.957 34.464 -27.168 1.00 0.00 C ATOM 480 O ARG A 32 1.439 35.417 -27.750 1.00 0.00 O ATOM 481 CB ARG A 32 2.225 34.251 -24.690 1.00 0.00 C ATOM 482 CG ARG A 32 1.461 34.871 -23.531 1.00 0.00 C ATOM 483 CD ARG A 32 0.803 36.181 -23.935 1.00 0.00 C ATOM 484 NE ARG A 32 0.919 37.196 -22.892 1.00 0.00 N ATOM 485 CZ ARG A 32 2.059 37.805 -22.582 1.00 0.00 C ATOM 486 NH1 ARG A 32 3.174 37.503 -23.233 1.00 0.00 N1+ ATOM 487 NH2 ARG A 32 2.084 38.718 -21.620 1.00 0.00 N ATOM 0 H ARG A 32 1.930 31.913 -25.580 1.00 0.00 H new ATOM 0 HA ARG A 32 0.359 34.352 -25.752 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.725 33.347 -24.342 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.004 34.942 -25.012 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.700 34.173 -23.181 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.141 35.046 -22.698 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.262 36.550 -24.852 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.250 36.005 -24.154 1.00 0.00 H new ATOM 0 HE ARG A 32 0.079 37.452 -22.373 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.158 36.802 -23.974 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.048 37.972 -22.993 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.228 38.953 -21.118 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.959 39.185 -21.383 1.00 0.00 H new ATOM 789 N ILE B 110 -10.732 11.940 -9.435 1.00 0.00 N ATOM 790 CA ILE B 110 -11.117 12.159 -10.823 1.00 0.00 C ATOM 791 C ILE B 110 -10.350 13.329 -11.429 1.00 0.00 C ATOM 792 O ILE B 110 -9.659 13.195 -12.439 1.00 0.00 O ATOM 793 CB ILE B 110 -12.628 12.428 -10.952 1.00 0.00 C ATOM 794 CG1 ILE B 110 -13.394 11.110 -11.085 1.00 0.00 C ATOM 795 CG2 ILE B 110 -12.905 13.330 -12.146 1.00 0.00 C ATOM 796 CD1 ILE B 110 -14.459 10.921 -10.027 1.00 0.00 C ATOM 0 HA ILE B 110 -10.871 11.247 -11.366 1.00 0.00 H new ATOM 0 HB ILE B 110 -12.970 12.936 -10.050 1.00 0.00 H new ATOM 0 HG12 ILE B 110 -13.860 11.067 -12.070 1.00 0.00 H new ATOM 0 HG13 ILE B 110 -12.688 10.281 -11.030 1.00 0.00 H new ATOM 0 HG21 ILE B 110 -13.977 13.511 -12.224 1.00 0.00 H new ATOM 0 HG22 ILE B 110 -12.385 14.279 -12.013 1.00 0.00 H new ATOM 0 HG23 ILE B 110 -12.551 12.847 -13.057 1.00 0.00 H new ATOM 0 HD11 ILE B 110 -14.961 9.966 -10.183 1.00 0.00 H new ATOM 0 HD12 ILE B 110 -13.997 10.931 -9.040 1.00 0.00 H new ATOM 0 HD13 ILE B 110 -15.187 11.729 -10.095 1.00 0.00 H new ATOM 808 N PRO B 111 -10.472 14.506 -10.798 1.00 0.00 N ATOM 809 CA PRO B 111 -9.795 15.724 -11.255 1.00 0.00 C ATOM 810 C PRO B 111 -8.286 15.659 -11.051 1.00 0.00 C ATOM 811 O PRO B 111 -7.528 16.367 -11.715 1.00 0.00 O ATOM 812 CB PRO B 111 -10.407 16.820 -10.380 1.00 0.00 C ATOM 813 CG PRO B 111 -10.857 16.114 -9.148 1.00 0.00 C ATOM 814 CD PRO B 111 -11.279 14.740 -9.589 1.00 0.00 C ATOM 0 HA PRO B 111 -9.930 15.889 -12.324 1.00 0.00 H new ATOM 0 HB2 PRO B 111 -9.677 17.595 -10.148 1.00 0.00 H new ATOM 0 HB3 PRO B 111 -11.241 17.309 -10.883 1.00 0.00 H new ATOM 0 HG2 PRO B 111 -10.053 16.059 -8.414 1.00 0.00 H new ATOM 0 HG3 PRO B 111 -11.684 16.643 -8.675 1.00 0.00 H new ATOM 0 HD2 PRO B 111 -11.079 13.993 -8.821 1.00 0.00 H new ATOM 0 HD3 PRO B 111 -12.347 14.697 -9.804 1.00 0.00 H new ATOM 822 N VAL B 112 -7.854 14.806 -10.128 1.00 0.00 N ATOM 823 CA VAL B 112 -6.434 14.648 -9.837 1.00 0.00 C ATOM 824 C VAL B 112 -5.693 14.049 -11.027 1.00 0.00 C ATOM 825 O VAL B 112 -4.823 14.690 -11.617 1.00 0.00 O ATOM 826 CB VAL B 112 -6.209 13.754 -8.603 1.00 0.00 C ATOM 827 CG1 VAL B 112 -4.723 13.540 -8.362 1.00 0.00 C ATOM 828 CG2 VAL B 112 -6.876 14.360 -7.378 1.00 0.00 C ATOM 0 H VAL B 112 -8.467 14.213 -9.569 1.00 0.00 H new ATOM 0 HA VAL B 112 -6.041 15.643 -9.631 1.00 0.00 H new ATOM 0 HB VAL B 112 -6.664 12.782 -8.792 1.00 0.00 H new ATOM 0 HG11 VAL B 112 -4.584 12.906 -7.486 1.00 0.00 H new ATOM 0 HG12 VAL B 112 -4.279 13.058 -9.233 1.00 0.00 H new ATOM 0 HG13 VAL B 112 -4.239 14.502 -8.194 1.00 0.00 H new ATOM 0 HG21 VAL B 112 -6.707 13.715 -6.515 1.00 0.00 H new ATOM 0 HG22 VAL B 112 -6.453 15.345 -7.183 1.00 0.00 H new ATOM 0 HG23 VAL B 112 -7.947 14.454 -7.556 1.00 0.00 H new ATOM 838 N TYR B 113 -6.043 12.816 -11.375 1.00 0.00 N ATOM 839 CA TYR B 113 -5.409 12.128 -12.494 1.00 0.00 C ATOM 840 C TYR B 113 -5.741 12.816 -13.814 1.00 0.00 C ATOM 841 O TYR B 113 -4.886 12.953 -14.688 1.00 0.00 O ATOM 842 CB TYR B 113 -5.857 10.666 -12.541 1.00 0.00 C ATOM 843 CG TYR B 113 -5.125 9.777 -11.562 1.00 0.00 C ATOM 844 CD1 TYR B 113 -5.125 10.058 -10.202 1.00 0.00 C ATOM 845 CD2 TYR B 113 -4.433 8.653 -11.998 1.00 0.00 C ATOM 846 CE1 TYR B 113 -4.456 9.249 -9.305 1.00 0.00 C ATOM 847 CE2 TYR B 113 -3.763 7.837 -11.108 1.00 0.00 C ATOM 848 CZ TYR B 113 -3.777 8.139 -9.762 1.00 0.00 C ATOM 849 OH TYR B 113 -3.111 7.329 -8.871 1.00 0.00 O ATOM 0 H TYR B 113 -6.762 12.272 -10.899 1.00 0.00 H new ATOM 0 HA TYR B 113 -4.330 12.166 -12.347 1.00 0.00 H new ATOM 0 HB2 TYR B 113 -6.926 10.616 -12.335 1.00 0.00 H new ATOM 0 HB3 TYR B 113 -5.708 10.281 -13.550 1.00 0.00 H new ATOM 0 HD1 TYR B 113 -5.658 10.925 -9.839 1.00 0.00 H new ATOM 0 HD2 TYR B 113 -4.419 8.414 -13.051 1.00 0.00 H new ATOM 0 HE1 TYR B 113 -4.464 9.484 -8.251 1.00 0.00 H new ATOM 0 HE2 TYR B 113 -3.231 6.967 -11.464 1.00 0.00 H new ATOM 0 HH TYR B 113 -2.686 6.591 -9.355 1.00 0.00 H new ATOM 859 N ALA B 114 -6.991 13.248 -13.951 1.00 0.00 N ATOM 860 CA ALA B 114 -7.436 13.925 -15.163 1.00 0.00 C ATOM 861 C ALA B 114 -6.532 15.107 -15.496 1.00 0.00 C ATOM 862 O ALA B 114 -5.984 15.191 -16.595 1.00 0.00 O ATOM 863 CB ALA B 114 -8.878 14.388 -15.009 1.00 0.00 C ATOM 0 H ALA B 114 -7.713 13.141 -13.238 1.00 0.00 H new ATOM 0 HA ALA B 114 -7.379 13.215 -15.988 1.00 0.00 H new ATOM 0 HB1 ALA B 114 -9.198 14.892 -15.921 1.00 0.00 H new ATOM 0 HB2 ALA B 114 -9.519 13.526 -14.827 1.00 0.00 H new ATOM 0 HB3 ALA B 114 -8.951 15.078 -14.169 1.00 0.00 H new ATOM 869 N SER B 115 -6.382 16.019 -14.540 1.00 0.00 N ATOM 870 CA SER B 115 -5.547 17.199 -14.734 1.00 0.00 C ATOM 871 C SER B 115 -4.103 16.801 -15.021 1.00 0.00 C ATOM 872 O SER B 115 -3.525 17.206 -16.031 1.00 0.00 O ATOM 873 CB SER B 115 -5.605 18.099 -13.499 1.00 0.00 C ATOM 874 OG SER B 115 -6.810 18.843 -13.465 1.00 0.00 O ATOM 0 H SER B 115 -6.828 15.963 -13.624 1.00 0.00 H new ATOM 0 HA SER B 115 -5.931 17.749 -15.593 1.00 0.00 H new ATOM 0 HB2 SER B 115 -5.524 17.491 -12.598 1.00 0.00 H new ATOM 0 HB3 SER B 115 -4.754 18.780 -13.501 1.00 0.00 H new ATOM 0 HG SER B 115 -7.479 18.359 -12.937 1.00 0.00 H new ATOM 880 N ILE B 116 -3.526 16.006 -14.127 1.00 0.00 N ATOM 881 CA ILE B 116 -2.149 15.553 -14.284 1.00 0.00 C ATOM 882 C ILE B 116 -1.922 14.955 -15.668 1.00 0.00 C ATOM 883 O ILE B 116 -0.906 15.221 -16.312 1.00 0.00 O ATOM 884 CB ILE B 116 -1.776 14.505 -13.218 1.00 0.00 C ATOM 885 CG1 ILE B 116 -1.842 15.123 -11.820 1.00 0.00 C ATOM 886 CG2 ILE B 116 -0.389 13.943 -13.490 1.00 0.00 C ATOM 887 CD1 ILE B 116 -1.814 14.101 -10.705 1.00 0.00 C ATOM 0 H ILE B 116 -3.990 15.662 -13.286 1.00 0.00 H new ATOM 0 HA ILE B 116 -1.513 16.429 -14.160 1.00 0.00 H new ATOM 0 HB ILE B 116 -2.494 13.686 -13.267 1.00 0.00 H new ATOM 0 HG12 ILE B 116 -1.004 15.808 -11.695 1.00 0.00 H new ATOM 0 HG13 ILE B 116 -2.753 15.715 -11.736 1.00 0.00 H new ATOM 0 HG21 ILE B 116 -0.140 13.204 -12.728 1.00 0.00 H new ATOM 0 HG22 ILE B 116 -0.374 13.471 -14.472 1.00 0.00 H new ATOM 0 HG23 ILE B 116 0.342 14.751 -13.465 1.00 0.00 H new ATOM 0 HD11 ILE B 116 -1.864 14.611 -9.743 1.00 0.00 H new ATOM 0 HD12 ILE B 116 -2.667 13.430 -10.805 1.00 0.00 H new ATOM 0 HD13 ILE B 116 -0.891 13.525 -10.763 1.00 0.00 H new ATOM 899 N LEU B 117 -2.874 14.148 -16.122 1.00 0.00 N ATOM 900 CA LEU B 117 -2.779 13.514 -17.433 1.00 0.00 C ATOM 901 C LEU B 117 -2.698 14.560 -18.539 1.00 0.00 C ATOM 902 O LEU B 117 -1.920 14.422 -19.482 1.00 0.00 O ATOM 903 CB LEU B 117 -3.983 12.599 -17.667 1.00 0.00 C ATOM 904 CG LEU B 117 -3.746 11.106 -17.439 1.00 0.00 C ATOM 905 CD1 LEU B 117 -2.654 10.592 -18.364 1.00 0.00 C ATOM 906 CD2 LEU B 117 -3.385 10.839 -15.985 1.00 0.00 C ATOM 0 H LEU B 117 -3.721 13.917 -15.602 1.00 0.00 H new ATOM 0 HA LEU B 117 -1.867 12.917 -17.456 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -4.792 12.922 -17.012 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -4.327 12.739 -18.692 1.00 0.00 H new ATOM 0 HG LEU B 117 -4.669 10.572 -17.667 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -2.499 9.528 -18.188 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -2.952 10.748 -19.401 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -1.727 11.131 -18.168 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -3.220 9.771 -15.841 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -2.476 11.384 -15.730 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -4.200 11.170 -15.341 1.00 0.00 H new ATOM 918 N ALA B 118 -3.507 15.608 -18.417 1.00 0.00 N ATOM 919 CA ALA B 118 -3.524 16.680 -19.404 1.00 0.00 C ATOM 920 C ALA B 118 -2.160 17.356 -19.504 1.00 0.00 C ATOM 921 O ALA B 118 -1.634 17.553 -20.599 1.00 0.00 O ATOM 922 CB ALA B 118 -4.597 17.701 -19.057 1.00 0.00 C ATOM 0 H ALA B 118 -4.159 15.737 -17.644 1.00 0.00 H new ATOM 0 HA ALA B 118 -3.756 16.242 -20.375 1.00 0.00 H new ATOM 0 HB1 ALA B 118 -4.598 18.496 -19.803 1.00 0.00 H new ATOM 0 HB2 ALA B 118 -5.572 17.214 -19.044 1.00 0.00 H new ATOM 0 HB3 ALA B 118 -4.391 18.126 -18.075 1.00 0.00 H new ATOM 928 N ALA B 119 -1.594 17.708 -18.355 1.00 0.00 N ATOM 929 CA ALA B 119 -0.291 18.361 -18.313 1.00 0.00 C ATOM 930 C ALA B 119 0.774 17.504 -18.989 1.00 0.00 C ATOM 931 O ALA B 119 1.663 18.020 -19.667 1.00 0.00 O ATOM 932 CB ALA B 119 0.104 18.660 -16.875 1.00 0.00 C ATOM 0 H ALA B 119 -2.017 17.552 -17.440 1.00 0.00 H new ATOM 0 HA ALA B 119 -0.365 19.301 -18.860 1.00 0.00 H new ATOM 0 HB1 ALA B 119 1.079 19.147 -16.859 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -0.638 19.318 -16.423 1.00 0.00 H new ATOM 0 HB3 ALA B 119 0.155 17.729 -16.311 1.00 0.00 H new ATOM 938 N VAL B 120 0.678 16.191 -18.800 1.00 0.00 N ATOM 939 CA VAL B 120 1.634 15.262 -19.392 1.00 0.00 C ATOM 940 C VAL B 120 1.378 15.087 -20.884 1.00 0.00 C ATOM 941 O VAL B 120 2.309 15.090 -21.689 1.00 0.00 O ATOM 942 CB VAL B 120 1.574 13.884 -18.707 1.00 0.00 C ATOM 943 CG1 VAL B 120 1.564 12.772 -19.745 1.00 0.00 C ATOM 944 CG2 VAL B 120 2.740 13.716 -17.745 1.00 0.00 C ATOM 0 H VAL B 120 -0.052 15.747 -18.242 1.00 0.00 H new ATOM 0 HA VAL B 120 2.625 15.690 -19.244 1.00 0.00 H new ATOM 0 HB VAL B 120 0.649 13.822 -18.134 1.00 0.00 H new ATOM 0 HG11 VAL B 120 1.521 11.806 -19.243 1.00 0.00 H new ATOM 0 HG12 VAL B 120 0.693 12.884 -20.390 1.00 0.00 H new ATOM 0 HG13 VAL B 120 2.471 12.828 -20.347 1.00 0.00 H new ATOM 0 HG21 VAL B 120 2.682 12.737 -17.270 1.00 0.00 H new ATOM 0 HG22 VAL B 120 3.679 13.798 -18.293 1.00 0.00 H new ATOM 0 HG23 VAL B 120 2.697 14.493 -16.982 1.00 0.00 H new ATOM 954 N VAL B 121 0.108 14.936 -21.248 1.00 0.00 N ATOM 955 CA VAL B 121 -0.271 14.761 -22.645 1.00 0.00 C ATOM 956 C VAL B 121 0.083 15.994 -23.469 1.00 0.00 C ATOM 957 O VAL B 121 0.603 15.883 -24.579 1.00 0.00 O ATOM 958 CB VAL B 121 -1.779 14.480 -22.786 1.00 0.00 C ATOM 959 CG1 VAL B 121 -2.177 14.423 -24.253 1.00 0.00 C ATOM 960 CG2 VAL B 121 -2.148 13.186 -22.075 1.00 0.00 C ATOM 0 H VAL B 121 -0.675 14.931 -20.595 1.00 0.00 H new ATOM 0 HA VAL B 121 0.288 13.904 -23.020 1.00 0.00 H new ATOM 0 HB VAL B 121 -2.328 15.296 -22.317 1.00 0.00 H new ATOM 0 HG11 VAL B 121 -3.246 14.224 -24.333 1.00 0.00 H new ATOM 0 HG12 VAL B 121 -1.949 15.377 -24.729 1.00 0.00 H new ATOM 0 HG13 VAL B 121 -1.622 13.628 -24.750 1.00 0.00 H new ATOM 0 HG21 VAL B 121 -3.217 13.003 -22.185 1.00 0.00 H new ATOM 0 HG22 VAL B 121 -1.591 12.358 -22.514 1.00 0.00 H new ATOM 0 HG23 VAL B 121 -1.901 13.269 -21.017 1.00 0.00 H new ATOM 970 N VAL B 122 -0.201 17.170 -22.917 1.00 0.00 N ATOM 971 CA VAL B 122 0.090 18.425 -23.600 1.00 0.00 C ATOM 972 C VAL B 122 1.591 18.686 -23.655 1.00 0.00 C ATOM 973 O VAL B 122 2.118 19.129 -24.674 1.00 0.00 O ATOM 974 CB VAL B 122 -0.602 19.614 -22.908 1.00 0.00 C ATOM 975 CG1 VAL B 122 -0.322 20.906 -23.659 1.00 0.00 C ATOM 976 CG2 VAL B 122 -2.099 19.367 -22.795 1.00 0.00 C ATOM 0 H VAL B 122 -0.632 17.279 -21.999 1.00 0.00 H new ATOM 0 HA VAL B 122 -0.296 18.330 -24.615 1.00 0.00 H new ATOM 0 HB VAL B 122 -0.196 19.712 -21.901 1.00 0.00 H new ATOM 0 HG11 VAL B 122 -0.819 21.735 -23.155 1.00 0.00 H new ATOM 0 HG12 VAL B 122 0.753 21.088 -23.683 1.00 0.00 H new ATOM 0 HG13 VAL B 122 -0.698 20.823 -24.679 1.00 0.00 H new ATOM 0 HG21 VAL B 122 -2.572 20.217 -22.304 1.00 0.00 H new ATOM 0 HG22 VAL B 122 -2.523 19.242 -23.791 1.00 0.00 H new ATOM 0 HG23 VAL B 122 -2.276 18.465 -22.209 1.00 0.00 H new ATOM 986 N GLY B 123 2.276 18.407 -22.550 1.00 0.00 N ATOM 987 CA GLY B 123 3.710 18.617 -22.492 1.00 0.00 C ATOM 988 C GLY B 123 4.461 17.772 -23.502 1.00 0.00 C ATOM 989 O GLY B 123 5.435 18.227 -24.102 1.00 0.00 O ATOM 0 H GLY B 123 1.862 18.039 -21.693 1.00 0.00 H new ATOM 0 HA2 GLY B 123 3.927 19.670 -22.671 1.00 0.00 H new ATOM 0 HA3 GLY B 123 4.068 18.383 -21.489 1.00 0.00 H new ATOM 993 N LEU B 124 4.010 16.536 -23.689 1.00 0.00 N ATOM 994 CA LEU B 124 4.646 15.624 -24.632 1.00 0.00 C ATOM 995 C LEU B 124 4.377 16.052 -26.071 1.00 0.00 C ATOM 996 O LEU B 124 5.303 16.201 -26.869 1.00 0.00 O ATOM 997 CB LEU B 124 4.143 14.196 -24.410 1.00 0.00 C ATOM 998 CG LEU B 124 5.156 13.209 -23.831 1.00 0.00 C ATOM 999 CD1 LEU B 124 4.501 12.324 -22.782 1.00 0.00 C ATOM 1000 CD2 LEU B 124 5.769 12.363 -24.937 1.00 0.00 C ATOM 0 H LEU B 124 3.206 16.143 -23.200 1.00 0.00 H new ATOM 0 HA LEU B 124 5.722 15.655 -24.459 1.00 0.00 H new ATOM 0 HB2 LEU B 124 3.282 14.235 -23.743 1.00 0.00 H new ATOM 0 HB3 LEU B 124 3.789 13.805 -25.364 1.00 0.00 H new ATOM 0 HG LEU B 124 5.953 13.777 -23.351 1.00 0.00 H new ATOM 0 HD11 LEU B 124 5.238 11.628 -22.381 1.00 0.00 H new ATOM 0 HD12 LEU B 124 4.111 12.944 -21.975 1.00 0.00 H new ATOM 0 HD13 LEU B 124 3.684 11.765 -23.237 1.00 0.00 H new ATOM 0 HD21 LEU B 124 6.488 11.666 -24.506 1.00 0.00 H new ATOM 0 HD22 LEU B 124 4.983 11.805 -25.446 1.00 0.00 H new ATOM 0 HD23 LEU B 124 6.276 13.011 -25.652 1.00 0.00 H new ATOM 1012 N VAL B 125 3.104 16.251 -26.395 1.00 0.00 N ATOM 1013 CA VAL B 125 2.712 16.666 -27.737 1.00 0.00 C ATOM 1014 C VAL B 125 3.295 18.032 -28.081 1.00 0.00 C ATOM 1015 O VAL B 125 3.997 18.185 -29.081 1.00 0.00 O ATOM 1016 CB VAL B 125 1.180 16.723 -27.882 1.00 0.00 C ATOM 1017 CG1 VAL B 125 0.793 17.182 -29.280 1.00 0.00 C ATOM 1018 CG2 VAL B 125 0.565 15.368 -27.568 1.00 0.00 C ATOM 0 H VAL B 125 2.326 16.132 -25.747 1.00 0.00 H new ATOM 0 HA VAL B 125 3.107 15.921 -28.427 1.00 0.00 H new ATOM 0 HB VAL B 125 0.791 17.448 -27.167 1.00 0.00 H new ATOM 0 HG11 VAL B 125 -0.293 17.216 -29.364 1.00 0.00 H new ATOM 0 HG12 VAL B 125 1.203 18.175 -29.463 1.00 0.00 H new ATOM 0 HG13 VAL B 125 1.192 16.484 -30.016 1.00 0.00 H new ATOM 0 HG21 VAL B 125 -0.518 15.426 -27.675 1.00 0.00 H new ATOM 0 HG22 VAL B 125 0.958 14.621 -28.258 1.00 0.00 H new ATOM 0 HG23 VAL B 125 0.813 15.084 -26.545 1.00 0.00 H new ATOM 1028 N ALA B 126 3.001 19.023 -27.246 1.00 0.00 N ATOM 1029 CA ALA B 126 3.498 20.377 -27.461 1.00 0.00 C ATOM 1030 C ALA B 126 5.010 20.381 -27.660 1.00 0.00 C ATOM 1031 O ALA B 126 5.508 20.819 -28.697 1.00 0.00 O ATOM 1032 CB ALA B 126 3.114 21.271 -26.292 1.00 0.00 C ATOM 0 H ALA B 126 2.421 18.914 -26.414 1.00 0.00 H new ATOM 0 HA ALA B 126 3.038 20.768 -28.369 1.00 0.00 H new ATOM 0 HB1 ALA B 126 3.491 22.279 -26.465 1.00 0.00 H new ATOM 0 HB2 ALA B 126 2.028 21.301 -26.198 1.00 0.00 H new ATOM 0 HB3 ALA B 126 3.547 20.875 -25.373 1.00 0.00 H new ATOM 1038 N TYR B 127 5.734 19.892 -26.660 1.00 0.00 N ATOM 1039 CA TYR B 127 7.190 19.843 -26.723 1.00 0.00 C ATOM 1040 C TYR B 127 7.658 19.267 -28.056 1.00 0.00 C ATOM 1041 O TYR B 127 8.223 19.977 -28.888 1.00 0.00 O ATOM 1042 CB TYR B 127 7.744 19.004 -25.570 1.00 0.00 C ATOM 1043 CG TYR B 127 9.250 19.056 -25.453 1.00 0.00 C ATOM 1044 CD1 TYR B 127 9.907 20.256 -25.209 1.00 0.00 C ATOM 1045 CD2 TYR B 127 10.017 17.904 -25.585 1.00 0.00 C ATOM 1046 CE1 TYR B 127 11.283 20.308 -25.102 1.00 0.00 C ATOM 1047 CE2 TYR B 127 11.394 17.947 -25.477 1.00 0.00 C ATOM 1048 CZ TYR B 127 12.022 19.151 -25.236 1.00 0.00 C ATOM 1049 OH TYR B 127 13.393 19.198 -25.129 1.00 0.00 O ATOM 0 H TYR B 127 5.337 19.524 -25.796 1.00 0.00 H new ATOM 0 HA TYR B 127 7.566 20.862 -26.635 1.00 0.00 H new ATOM 0 HB2 TYR B 127 7.303 19.350 -24.635 1.00 0.00 H new ATOM 0 HB3 TYR B 127 7.434 17.968 -25.704 1.00 0.00 H new ATOM 0 HD1 TYR B 127 9.332 21.164 -25.101 1.00 0.00 H new ATOM 0 HD2 TYR B 127 9.529 16.960 -25.775 1.00 0.00 H new ATOM 0 HE1 TYR B 127 11.778 21.250 -24.914 1.00 0.00 H new ATOM 0 HE2 TYR B 127 11.975 17.043 -25.581 1.00 0.00 H new ATOM 0 HH TYR B 127 13.761 18.298 -25.247 1.00 0.00 H new ATOM 1059 N ILE B 128 7.417 17.975 -28.252 1.00 0.00 N ATOM 1060 CA ILE B 128 7.811 17.303 -29.484 1.00 0.00 C ATOM 1061 C ILE B 128 7.366 18.094 -30.709 1.00 0.00 C ATOM 1062 O ILE B 128 8.173 18.414 -31.581 1.00 0.00 O ATOM 1063 CB ILE B 128 7.223 15.882 -29.563 1.00 0.00 C ATOM 1064 CG1 ILE B 128 7.719 15.035 -28.389 1.00 0.00 C ATOM 1065 CG2 ILE B 128 7.592 15.229 -30.887 1.00 0.00 C ATOM 1066 CD1 ILE B 128 6.746 13.955 -27.970 1.00 0.00 C ATOM 0 H ILE B 128 6.951 17.373 -27.573 1.00 0.00 H new ATOM 0 HA ILE B 128 8.899 17.237 -29.473 1.00 0.00 H new ATOM 0 HB ILE B 128 6.137 15.951 -29.504 1.00 0.00 H new ATOM 0 HG12 ILE B 128 8.668 14.573 -28.660 1.00 0.00 H new ATOM 0 HG13 ILE B 128 7.914 15.687 -27.538 1.00 0.00 H new ATOM 0 HG21 ILE B 128 7.169 14.225 -30.928 1.00 0.00 H new ATOM 0 HG22 ILE B 128 7.195 15.824 -31.709 1.00 0.00 H new ATOM 0 HG23 ILE B 128 8.677 15.170 -30.973 1.00 0.00 H new ATOM 0 HD11 ILE B 128 7.163 13.394 -27.133 1.00 0.00 H new ATOM 0 HD12 ILE B 128 5.804 14.412 -27.667 1.00 0.00 H new ATOM 0 HD13 ILE B 128 6.569 13.280 -28.807 1.00 0.00 H new ATOM 1078 N ALA B 129 6.076 18.409 -30.766 1.00 0.00 N ATOM 1079 CA ALA B 129 5.523 19.167 -31.882 1.00 0.00 C ATOM 1080 C ALA B 129 6.373 20.397 -32.185 1.00 0.00 C ATOM 1081 O ALA B 129 7.026 20.471 -33.225 1.00 0.00 O ATOM 1082 CB ALA B 129 4.088 19.575 -31.583 1.00 0.00 C ATOM 0 H ALA B 129 5.394 18.151 -30.052 1.00 0.00 H new ATOM 0 HA ALA B 129 5.531 18.526 -32.764 1.00 0.00 H new ATOM 0 HB1 ALA B 129 3.688 20.140 -32.425 1.00 0.00 H new ATOM 0 HB2 ALA B 129 3.482 18.683 -31.424 1.00 0.00 H new ATOM 0 HB3 ALA B 129 4.065 20.194 -30.686 1.00 0.00 H new ATOM 1088 N PHE B 130 6.358 21.360 -31.269 1.00 0.00 N ATOM 1089 CA PHE B 130 7.127 22.587 -31.439 1.00 0.00 C ATOM 1090 C PHE B 130 8.608 22.279 -31.638 1.00 0.00 C ATOM 1091 O PHE B 130 9.355 23.090 -32.186 1.00 0.00 O ATOM 1092 CB PHE B 130 6.943 23.501 -30.226 1.00 0.00 C ATOM 1093 CG PHE B 130 5.606 24.185 -30.188 1.00 0.00 C ATOM 1094 CD1 PHE B 130 5.310 25.206 -31.077 1.00 0.00 C ATOM 1095 CD2 PHE B 130 4.646 23.808 -29.263 1.00 0.00 C ATOM 1096 CE1 PHE B 130 4.081 25.837 -31.044 1.00 0.00 C ATOM 1097 CE2 PHE B 130 3.415 24.436 -29.225 1.00 0.00 C ATOM 1098 CZ PHE B 130 3.132 25.451 -30.117 1.00 0.00 C ATOM 0 H PHE B 130 5.822 21.314 -30.402 1.00 0.00 H new ATOM 0 HA PHE B 130 6.758 23.097 -32.329 1.00 0.00 H new ATOM 0 HB2 PHE B 130 7.068 22.914 -29.316 1.00 0.00 H new ATOM 0 HB3 PHE B 130 7.729 24.256 -30.228 1.00 0.00 H new ATOM 0 HD1 PHE B 130 6.048 25.512 -31.804 1.00 0.00 H new ATOM 0 HD2 PHE B 130 4.862 23.014 -28.563 1.00 0.00 H new ATOM 0 HE1 PHE B 130 3.862 26.631 -31.742 1.00 0.00 H new ATOM 0 HE2 PHE B 130 2.676 24.133 -28.498 1.00 0.00 H new ATOM 0 HZ PHE B 130 2.171 25.942 -30.090 1.00 0.00 H new ATOM 1108 N LYS B 131 9.026 21.101 -31.188 1.00 0.00 N ATOM 1109 CA LYS B 131 10.417 20.683 -31.316 1.00 0.00 C ATOM 1110 C LYS B 131 10.709 20.188 -32.729 1.00 0.00 C ATOM 1111 O LYS B 131 11.855 20.205 -33.178 1.00 0.00 O ATOM 1112 CB LYS B 131 10.735 19.582 -30.302 1.00 0.00 C ATOM 1113 CG LYS B 131 11.877 18.674 -30.728 1.00 0.00 C ATOM 1114 CD LYS B 131 12.234 17.679 -29.637 1.00 0.00 C ATOM 1115 CE LYS B 131 13.654 17.889 -29.134 1.00 0.00 C ATOM 1116 NZ LYS B 131 13.702 18.842 -27.990 1.00 0.00 N1+ ATOM 0 H LYS B 131 8.421 20.418 -30.731 1.00 0.00 H new ATOM 0 HA LYS B 131 11.050 21.547 -31.115 1.00 0.00 H new ATOM 0 HB2 LYS B 131 10.985 20.041 -29.346 1.00 0.00 H new ATOM 0 HB3 LYS B 131 9.842 18.978 -30.142 1.00 0.00 H new ATOM 0 HG2 LYS B 131 11.597 18.137 -31.634 1.00 0.00 H new ATOM 0 HG3 LYS B 131 12.751 19.277 -30.972 1.00 0.00 H new ATOM 0 HD2 LYS B 131 11.534 17.780 -28.807 1.00 0.00 H new ATOM 0 HD3 LYS B 131 12.129 16.664 -30.020 1.00 0.00 H new ATOM 0 HE2 LYS B 131 14.076 16.932 -28.827 1.00 0.00 H new ATOM 0 HE3 LYS B 131 14.275 18.265 -29.947 1.00 0.00 H new ATOM 0 HZ1 LYS B 131 14.679 18.919 -27.643 1.00 0.00 H new ATOM 0 HZ2 LYS B 131 13.370 19.777 -28.303 1.00 0.00 H new ATOM 0 HZ3 LYS B 131 13.090 18.496 -27.224 1.00 0.00 H new ATOM 1130 N ARG B 132 9.665 19.748 -33.424 1.00 0.00 N ATOM 1131 CA ARG B 132 9.810 19.249 -34.786 1.00 0.00 C ATOM 1132 C ARG B 132 9.753 20.393 -35.794 1.00 0.00 C ATOM 1133 O ARG B 132 10.615 20.508 -36.665 1.00 0.00 O ATOM 1134 CB ARG B 132 8.715 18.227 -35.096 1.00 0.00 C ATOM 1135 CG ARG B 132 9.219 16.795 -35.166 1.00 0.00 C ATOM 1136 CD ARG B 132 10.268 16.627 -36.255 1.00 0.00 C ATOM 1137 NE ARG B 132 10.083 15.388 -37.006 1.00 0.00 N ATOM 1138 CZ ARG B 132 9.083 15.187 -37.857 1.00 0.00 C ATOM 1139 NH1 ARG B 132 8.183 16.139 -38.064 1.00 0.00 N1+ ATOM 1140 NH2 ARG B 132 8.982 14.033 -38.504 1.00 0.00 N ATOM 0 H ARG B 132 8.710 19.727 -33.066 1.00 0.00 H new ATOM 0 HA ARG B 132 10.783 18.765 -34.867 1.00 0.00 H new ATOM 0 HB2 ARG B 132 7.941 18.294 -34.331 1.00 0.00 H new ATOM 0 HB3 ARG B 132 8.247 18.485 -36.046 1.00 0.00 H new ATOM 0 HG2 ARG B 132 9.643 16.510 -34.203 1.00 0.00 H new ATOM 0 HG3 ARG B 132 8.383 16.123 -35.358 1.00 0.00 H new ATOM 0 HD2 ARG B 132 10.221 17.475 -36.938 1.00 0.00 H new ATOM 0 HD3 ARG B 132 11.261 16.634 -35.806 1.00 0.00 H new ATOM 0 HE ARG B 132 10.759 14.636 -36.870 1.00 0.00 H new ATOM 0 HH11 ARG B 132 8.258 17.028 -37.569 1.00 0.00 H new ATOM 0 HH12 ARG B 132 7.416 15.982 -38.718 1.00 0.00 H new ATOM 0 HH21 ARG B 132 9.673 13.299 -38.348 1.00 0.00 H new ATOM 0 HH22 ARG B 132 8.214 13.880 -39.157 1.00 0.00 H new