USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 288 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 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 99:sc= 1.19 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 113 TYR OH : rot 180:sc= 0 USER MOD Single : B 115 SER OG : rot 111:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 155 N PRO A 11 2.378 -13.364 0.590 1.00 0.00 N ATOM 156 CA PRO A 11 0.954 -13.592 0.331 1.00 0.00 C ATOM 157 C PRO A 11 0.721 -14.645 -0.748 1.00 0.00 C ATOM 158 O PRO A 11 0.000 -14.406 -1.717 1.00 0.00 O ATOM 159 CB PRO A 11 0.455 -12.224 -0.140 1.00 0.00 C ATOM 160 CG PRO A 11 1.662 -11.554 -0.700 1.00 0.00 C ATOM 161 CD PRO A 11 2.825 -12.043 0.119 1.00 0.00 C ATOM 0 HA PRO A 11 0.436 -13.970 1.212 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.327 -12.325 -0.893 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.031 -11.651 0.685 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.794 -11.804 -1.753 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.570 -10.470 -0.639 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.734 -12.116 -0.477 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.042 -11.372 0.950 1.00 0.00 H new ATOM 169 N VAL A 12 1.336 -15.810 -0.573 1.00 0.00 N ATOM 170 CA VAL A 12 1.194 -16.900 -1.531 1.00 0.00 C ATOM 171 C VAL A 12 -0.122 -17.642 -1.329 1.00 0.00 C ATOM 172 O VAL A 12 -0.752 -18.084 -2.290 1.00 0.00 O ATOM 173 CB VAL A 12 2.358 -17.902 -1.417 1.00 0.00 C ATOM 174 CG1 VAL A 12 2.420 -18.492 -0.016 1.00 0.00 C ATOM 175 CG2 VAL A 12 2.219 -19.000 -2.461 1.00 0.00 C ATOM 0 H VAL A 12 1.937 -16.023 0.223 1.00 0.00 H new ATOM 0 HA VAL A 12 1.206 -16.452 -2.524 1.00 0.00 H new ATOM 0 HB VAL A 12 3.291 -17.371 -1.603 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.249 -19.198 0.045 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.570 -17.692 0.709 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.486 -19.009 0.203 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.050 -19.699 -2.366 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.279 -19.530 -2.308 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.229 -18.558 -3.457 1.00 0.00 H new ATOM 185 N TYR A 13 -0.533 -17.775 -0.073 1.00 0.00 N ATOM 186 CA TYR A 13 -1.773 -18.467 0.257 1.00 0.00 C ATOM 187 C TYR A 13 -2.986 -17.645 -0.169 1.00 0.00 C ATOM 188 O TYR A 13 -3.897 -18.153 -0.823 1.00 0.00 O ATOM 189 CB TYR A 13 -1.839 -18.753 1.758 1.00 0.00 C ATOM 190 CG TYR A 13 -1.571 -20.199 2.111 1.00 0.00 C ATOM 191 CD1 TYR A 13 -0.538 -20.902 1.504 1.00 0.00 C ATOM 192 CD2 TYR A 13 -2.351 -20.861 3.050 1.00 0.00 C ATOM 193 CE1 TYR A 13 -0.289 -22.223 1.823 1.00 0.00 C ATOM 194 CE2 TYR A 13 -2.109 -22.182 3.377 1.00 0.00 C ATOM 195 CZ TYR A 13 -1.077 -22.859 2.760 1.00 0.00 C ATOM 196 OH TYR A 13 -0.834 -24.174 3.081 1.00 0.00 O ATOM 0 H TYR A 13 -0.025 -17.412 0.734 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.787 -19.411 -0.287 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.114 -18.122 2.272 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.825 -18.474 2.130 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.081 -20.407 0.770 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.161 -20.335 3.533 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.518 -22.755 1.341 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.724 -22.681 4.111 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.478 -24.470 3.758 1.00 0.00 H new ATOM 206 N CYS A 14 -2.989 -16.370 0.205 1.00 0.00 N ATOM 207 CA CYS A 14 -4.087 -15.475 -0.137 1.00 0.00 C ATOM 208 C CYS A 14 -4.164 -15.261 -1.646 1.00 0.00 C ATOM 209 O CYS A 14 -5.237 -15.004 -2.193 1.00 0.00 O ATOM 210 CB CYS A 14 -3.916 -14.130 0.572 1.00 0.00 C ATOM 211 SG CYS A 14 -5.485 -13.284 0.950 1.00 0.00 S ATOM 0 H CYS A 14 -2.242 -15.933 0.746 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.017 -15.937 0.195 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -3.368 -14.288 1.501 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.305 -13.478 -0.052 1.00 0.00 H new ATOM 216 N SER A 15 -3.020 -15.369 -2.313 1.00 0.00 N ATOM 217 CA SER A 15 -2.956 -15.183 -3.758 1.00 0.00 C ATOM 218 C SER A 15 -3.481 -16.416 -4.488 1.00 0.00 C ATOM 219 O SER A 15 -4.354 -16.315 -5.350 1.00 0.00 O ATOM 220 CB SER A 15 -1.518 -14.893 -4.193 1.00 0.00 C ATOM 221 OG SER A 15 -1.172 -13.542 -3.940 1.00 0.00 O ATOM 0 H SER A 15 -2.124 -15.585 -1.876 1.00 0.00 H new ATOM 0 HA SER A 15 -3.586 -14.332 -4.018 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.833 -15.553 -3.660 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.406 -15.108 -5.256 1.00 0.00 H new ATOM 0 HG SER A 15 -0.660 -13.486 -3.106 1.00 0.00 H new ATOM 227 N ILE A 16 -2.942 -17.578 -4.135 1.00 0.00 N ATOM 228 CA ILE A 16 -3.358 -18.831 -4.754 1.00 0.00 C ATOM 229 C ILE A 16 -4.812 -19.151 -4.424 1.00 0.00 C ATOM 230 O ILE A 16 -5.554 -19.658 -5.266 1.00 0.00 O ATOM 231 CB ILE A 16 -2.470 -20.005 -4.301 1.00 0.00 C ATOM 232 CG1 ILE A 16 -1.016 -19.761 -4.710 1.00 0.00 C ATOM 233 CG2 ILE A 16 -2.979 -21.312 -4.888 1.00 0.00 C ATOM 234 CD1 ILE A 16 -0.028 -20.658 -3.998 1.00 0.00 C ATOM 0 H ILE A 16 -2.217 -17.678 -3.424 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.252 -18.701 -5.831 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.515 -20.076 -3.214 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.920 -19.910 -5.785 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.760 -18.721 -4.508 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.341 -22.132 -4.558 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.000 -21.489 -4.551 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.961 -21.253 -5.976 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.982 -20.429 -4.338 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.095 -20.492 -2.923 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.258 -21.700 -4.220 1.00 0.00 H new ATOM 246 N LEU A 17 -5.213 -18.851 -3.194 1.00 0.00 N ATOM 247 CA LEU A 17 -6.580 -19.105 -2.752 1.00 0.00 C ATOM 248 C LEU A 17 -7.567 -18.213 -3.497 1.00 0.00 C ATOM 249 O LEU A 17 -8.494 -18.701 -4.144 1.00 0.00 O ATOM 250 CB LEU A 17 -6.701 -18.871 -1.245 1.00 0.00 C ATOM 251 CG LEU A 17 -8.072 -19.156 -0.630 1.00 0.00 C ATOM 252 CD1 LEU A 17 -8.009 -20.381 0.269 1.00 0.00 C ATOM 253 CD2 LEU A 17 -8.570 -17.946 0.148 1.00 0.00 C ATOM 0 H LEU A 17 -4.612 -18.432 -2.485 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.820 -20.145 -2.973 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.962 -19.493 -0.740 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.440 -17.834 -1.036 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.776 -19.359 -1.437 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.993 -20.569 0.698 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.697 -21.246 -0.316 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.291 -20.207 1.071 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.547 -18.167 0.578 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.866 -17.712 0.947 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.654 -17.091 -0.523 1.00 0.00 H new ATOM 265 N ALA A 18 -7.361 -16.903 -3.404 1.00 0.00 N ATOM 266 CA ALA A 18 -8.230 -15.944 -4.074 1.00 0.00 C ATOM 267 C ALA A 18 -8.390 -16.286 -5.552 1.00 0.00 C ATOM 268 O ALA A 18 -9.474 -16.147 -6.117 1.00 0.00 O ATOM 269 CB ALA A 18 -7.682 -14.533 -3.913 1.00 0.00 C ATOM 0 H ALA A 18 -6.600 -16.482 -2.871 1.00 0.00 H new ATOM 0 HA ALA A 18 -9.214 -15.996 -3.608 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -8.341 -13.827 -4.418 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.626 -14.283 -2.854 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.686 -14.477 -4.352 1.00 0.00 H new ATOM 275 N ALA A 19 -7.303 -16.733 -6.172 1.00 0.00 N ATOM 276 CA ALA A 19 -7.323 -17.095 -7.583 1.00 0.00 C ATOM 277 C ALA A 19 -8.295 -18.240 -7.842 1.00 0.00 C ATOM 278 O ALA A 19 -9.209 -18.120 -8.659 1.00 0.00 O ATOM 279 CB ALA A 19 -5.925 -17.471 -8.052 1.00 0.00 C ATOM 0 H ALA A 19 -6.397 -16.853 -5.719 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.664 -16.228 -8.150 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.955 -17.739 -9.108 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.254 -16.623 -7.912 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.563 -18.320 -7.472 1.00 0.00 H new ATOM 285 N VAL A 20 -8.093 -19.352 -7.143 1.00 0.00 N ATOM 286 CA VAL A 20 -8.953 -20.520 -7.297 1.00 0.00 C ATOM 287 C VAL A 20 -10.407 -20.174 -7.000 1.00 0.00 C ATOM 288 O VAL A 20 -11.319 -20.629 -7.691 1.00 0.00 O ATOM 289 CB VAL A 20 -8.510 -21.669 -6.372 1.00 0.00 C ATOM 290 CG1 VAL A 20 -9.316 -22.926 -6.659 1.00 0.00 C ATOM 291 CG2 VAL A 20 -7.020 -21.933 -6.527 1.00 0.00 C ATOM 0 H VAL A 20 -7.341 -19.469 -6.464 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.864 -20.844 -8.334 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.697 -21.374 -5.339 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.989 -23.727 -5.996 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.374 -22.726 -6.492 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.163 -23.228 -7.695 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.724 -22.748 -5.866 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.805 -22.207 -7.560 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.462 -21.034 -6.266 1.00 0.00 H new ATOM 301 N VAL A 21 -10.618 -19.365 -5.966 1.00 0.00 N ATOM 302 CA VAL A 21 -11.963 -18.958 -5.576 1.00 0.00 C ATOM 303 C VAL A 21 -12.645 -18.175 -6.693 1.00 0.00 C ATOM 304 O VAL A 21 -13.707 -18.563 -7.178 1.00 0.00 O ATOM 305 CB VAL A 21 -11.940 -18.096 -4.300 1.00 0.00 C ATOM 306 CG1 VAL A 21 -13.354 -17.713 -3.888 1.00 0.00 C ATOM 307 CG2 VAL A 21 -11.229 -18.831 -3.174 1.00 0.00 C ATOM 0 H VAL A 21 -9.875 -18.979 -5.384 1.00 0.00 H new ATOM 0 HA VAL A 21 -12.526 -19.870 -5.379 1.00 0.00 H new ATOM 0 HB VAL A 21 -11.388 -17.180 -4.511 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -13.317 -17.104 -2.985 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -13.825 -17.145 -4.690 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -13.934 -18.616 -3.694 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -11.222 -18.207 -2.280 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -11.751 -19.764 -2.962 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.204 -19.049 -3.472 1.00 0.00 H new ATOM 317 N VAL A 22 -12.026 -17.070 -7.097 1.00 0.00 N ATOM 318 CA VAL A 22 -12.572 -16.232 -8.158 1.00 0.00 C ATOM 319 C VAL A 22 -12.891 -17.056 -9.400 1.00 0.00 C ATOM 320 O VAL A 22 -14.040 -17.126 -9.833 1.00 0.00 O ATOM 321 CB VAL A 22 -11.596 -15.104 -8.540 1.00 0.00 C ATOM 322 CG1 VAL A 22 -12.164 -14.268 -9.677 1.00 0.00 C ATOM 323 CG2 VAL A 22 -11.286 -14.234 -7.331 1.00 0.00 C ATOM 0 H VAL A 22 -11.146 -16.734 -6.705 1.00 0.00 H new ATOM 0 HA VAL A 22 -13.491 -15.792 -7.772 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.665 -15.555 -8.882 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.460 -13.476 -9.933 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.329 -14.902 -10.548 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -13.110 -13.826 -9.366 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.595 -13.442 -7.620 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -12.208 -13.791 -6.955 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -10.832 -14.844 -6.550 1.00 0.00 H new ATOM 333 N GLY A 23 -11.864 -17.681 -9.968 1.00 0.00 N ATOM 334 CA GLY A 23 -12.055 -18.495 -11.155 1.00 0.00 C ATOM 335 C GLY A 23 -13.154 -19.524 -10.981 1.00 0.00 C ATOM 336 O GLY A 23 -14.027 -19.662 -11.839 1.00 0.00 O ATOM 0 H GLY A 23 -10.903 -17.638 -9.628 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.296 -17.850 -12.000 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.121 -19.002 -11.398 1.00 0.00 H new ATOM 340 N LEU A 24 -13.113 -20.250 -9.869 1.00 0.00 N ATOM 341 CA LEU A 24 -14.113 -21.273 -9.586 1.00 0.00 C ATOM 342 C LEU A 24 -15.523 -20.709 -9.722 1.00 0.00 C ATOM 343 O LEU A 24 -16.305 -21.160 -10.559 1.00 0.00 O ATOM 344 CB LEU A 24 -13.910 -21.836 -8.178 1.00 0.00 C ATOM 345 CG LEU A 24 -14.949 -22.854 -7.706 1.00 0.00 C ATOM 346 CD1 LEU A 24 -14.852 -24.133 -8.523 1.00 0.00 C ATOM 347 CD2 LEU A 24 -14.769 -23.151 -6.224 1.00 0.00 C ATOM 0 H LEU A 24 -12.398 -20.149 -9.149 1.00 0.00 H new ATOM 0 HA LEU A 24 -13.992 -22.076 -10.313 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -12.926 -22.304 -8.134 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -13.900 -21.004 -7.474 1.00 0.00 H new ATOM 0 HG LEU A 24 -15.941 -22.427 -7.853 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -15.599 -24.846 -8.173 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -15.030 -23.908 -9.574 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -13.857 -24.564 -8.408 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -15.517 -23.877 -5.905 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.772 -23.557 -6.053 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -14.889 -22.231 -5.651 1.00 0.00 H new ATOM 359 N VAL A 25 -15.841 -19.718 -8.895 1.00 0.00 N ATOM 360 CA VAL A 25 -17.156 -19.088 -8.927 1.00 0.00 C ATOM 361 C VAL A 25 -17.513 -18.631 -10.336 1.00 0.00 C ATOM 362 O VAL A 25 -18.680 -18.644 -10.727 1.00 0.00 O ATOM 363 CB VAL A 25 -17.222 -17.879 -7.975 1.00 0.00 C ATOM 364 CG1 VAL A 25 -18.626 -17.294 -7.951 1.00 0.00 C ATOM 365 CG2 VAL A 25 -16.778 -18.279 -6.575 1.00 0.00 C ATOM 0 H VAL A 25 -15.206 -19.334 -8.195 1.00 0.00 H new ATOM 0 HA VAL A 25 -17.875 -19.839 -8.599 1.00 0.00 H new ATOM 0 HB VAL A 25 -16.541 -17.111 -8.342 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -18.653 -16.441 -7.273 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -18.902 -16.969 -8.954 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -19.330 -18.052 -7.609 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -16.831 -17.413 -5.915 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -17.432 -19.064 -6.196 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -15.753 -18.647 -6.610 1.00 0.00 H new ATOM 375 N ALA A 26 -16.499 -18.228 -11.096 1.00 0.00 N ATOM 376 CA ALA A 26 -16.706 -17.768 -12.464 1.00 0.00 C ATOM 377 C ALA A 26 -17.047 -18.931 -13.389 1.00 0.00 C ATOM 378 O ALA A 26 -17.884 -18.801 -14.283 1.00 0.00 O ATOM 379 CB ALA A 26 -15.470 -17.036 -12.966 1.00 0.00 C ATOM 0 H ALA A 26 -15.527 -18.211 -10.788 1.00 0.00 H new ATOM 0 HA ALA A 26 -17.550 -17.078 -12.466 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -15.638 -16.698 -13.989 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -15.272 -16.175 -12.327 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -14.614 -17.710 -12.943 1.00 0.00 H new ATOM 385 N TYR A 27 -16.395 -20.067 -13.169 1.00 0.00 N ATOM 386 CA TYR A 27 -16.629 -21.253 -13.984 1.00 0.00 C ATOM 387 C TYR A 27 -18.041 -21.789 -13.773 1.00 0.00 C ATOM 388 O TYR A 27 -18.669 -22.298 -14.702 1.00 0.00 O ATOM 389 CB TYR A 27 -15.604 -22.338 -13.649 1.00 0.00 C ATOM 390 CG TYR A 27 -15.709 -23.563 -14.529 1.00 0.00 C ATOM 391 CD1 TYR A 27 -15.453 -23.487 -15.892 1.00 0.00 C ATOM 392 CD2 TYR A 27 -16.064 -24.797 -13.997 1.00 0.00 C ATOM 393 CE1 TYR A 27 -15.549 -24.603 -16.700 1.00 0.00 C ATOM 394 CE2 TYR A 27 -16.160 -25.919 -14.797 1.00 0.00 C ATOM 395 CZ TYR A 27 -15.902 -25.817 -16.148 1.00 0.00 C ATOM 396 OH TYR A 27 -15.997 -26.931 -16.949 1.00 0.00 O ATOM 0 H TYR A 27 -15.700 -20.192 -12.433 1.00 0.00 H new ATOM 0 HA TYR A 27 -16.520 -20.970 -15.031 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -14.602 -21.920 -13.741 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -15.731 -22.637 -12.608 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -15.174 -22.539 -16.328 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -16.268 -24.880 -12.940 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -15.349 -24.526 -17.758 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -16.436 -26.871 -14.367 1.00 0.00 H new ATOM 0 HH TYR A 27 -16.254 -27.704 -16.405 1.00 0.00 H new ATOM 406 N ILE A 28 -18.535 -21.670 -12.545 1.00 0.00 N ATOM 407 CA ILE A 28 -19.873 -22.141 -12.212 1.00 0.00 C ATOM 408 C ILE A 28 -20.927 -21.093 -12.556 1.00 0.00 C ATOM 409 O ILE A 28 -22.006 -21.422 -13.049 1.00 0.00 O ATOM 410 CB ILE A 28 -19.989 -22.496 -10.718 1.00 0.00 C ATOM 411 CG1 ILE A 28 -18.972 -23.578 -10.348 1.00 0.00 C ATOM 412 CG2 ILE A 28 -21.402 -22.956 -10.390 1.00 0.00 C ATOM 413 CD1 ILE A 28 -17.988 -23.144 -9.284 1.00 0.00 C ATOM 0 H ILE A 28 -18.029 -21.252 -11.765 1.00 0.00 H new ATOM 0 HA ILE A 28 -20.048 -23.038 -12.806 1.00 0.00 H new ATOM 0 HB ILE A 28 -19.773 -21.604 -10.130 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -19.505 -24.462 -9.999 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -18.422 -23.870 -11.243 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -21.467 -23.203 -9.330 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -22.107 -22.158 -10.621 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -21.645 -23.837 -10.984 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -17.298 -23.961 -9.072 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -17.428 -22.278 -9.638 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -18.528 -22.880 -8.375 1.00 0.00 H new ATOM 425 N ALA A 29 -20.605 -19.831 -12.296 1.00 0.00 N ATOM 426 CA ALA A 29 -21.522 -18.734 -12.582 1.00 0.00 C ATOM 427 C ALA A 29 -21.690 -18.537 -14.085 1.00 0.00 C ATOM 428 O ALA A 29 -22.809 -18.423 -14.585 1.00 0.00 O ATOM 429 CB ALA A 29 -21.028 -17.450 -11.931 1.00 0.00 C ATOM 0 H ALA A 29 -19.716 -19.542 -11.888 1.00 0.00 H new ATOM 0 HA ALA A 29 -22.496 -18.989 -12.164 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -21.722 -16.639 -12.153 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -20.966 -17.590 -10.852 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -20.042 -17.200 -12.322 1.00 0.00 H new ATOM 435 N PHE A 30 -20.571 -18.497 -14.800 1.00 0.00 N ATOM 436 CA PHE A 30 -20.594 -18.313 -16.247 1.00 0.00 C ATOM 437 C PHE A 30 -21.218 -19.521 -16.939 1.00 0.00 C ATOM 438 O PHE A 30 -21.766 -19.409 -18.035 1.00 0.00 O ATOM 439 CB PHE A 30 -19.177 -18.082 -16.776 1.00 0.00 C ATOM 440 CG PHE A 30 -19.108 -17.959 -18.271 1.00 0.00 C ATOM 441 CD1 PHE A 30 -20.013 -17.164 -18.957 1.00 0.00 C ATOM 442 CD2 PHE A 30 -18.139 -18.639 -18.991 1.00 0.00 C ATOM 443 CE1 PHE A 30 -19.952 -17.050 -20.333 1.00 0.00 C ATOM 444 CE2 PHE A 30 -18.073 -18.528 -20.368 1.00 0.00 C ATOM 445 CZ PHE A 30 -18.980 -17.732 -21.039 1.00 0.00 C ATOM 0 H PHE A 30 -19.637 -18.589 -14.401 1.00 0.00 H new ATOM 0 HA PHE A 30 -21.203 -17.436 -16.467 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -18.773 -17.175 -16.326 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -18.540 -18.907 -16.458 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -20.774 -16.628 -18.410 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -17.427 -19.263 -18.471 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -20.664 -16.428 -20.856 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -17.313 -19.063 -20.918 1.00 0.00 H new ATOM 0 HZ PHE A 30 -18.930 -17.643 -22.114 1.00 0.00 H new ATOM 455 N LYS A 31 -21.128 -20.678 -16.291 1.00 0.00 N ATOM 456 CA LYS A 31 -21.683 -21.908 -16.842 1.00 0.00 C ATOM 457 C LYS A 31 -23.182 -21.998 -16.573 1.00 0.00 C ATOM 458 O LYS A 31 -23.964 -22.323 -17.466 1.00 0.00 O ATOM 459 CB LYS A 31 -20.973 -23.125 -16.243 1.00 0.00 C ATOM 460 CG LYS A 31 -21.557 -24.453 -16.693 1.00 0.00 C ATOM 461 CD LYS A 31 -22.201 -25.199 -15.537 1.00 0.00 C ATOM 462 CE LYS A 31 -22.112 -26.706 -15.729 1.00 0.00 C ATOM 463 NZ LYS A 31 -23.289 -27.241 -16.468 1.00 0.00 N1+ ATOM 0 H LYS A 31 -20.676 -20.789 -15.384 1.00 0.00 H new ATOM 0 HA LYS A 31 -21.526 -21.897 -17.921 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -19.918 -23.090 -16.516 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -21.023 -23.066 -15.156 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -22.298 -24.280 -17.473 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -20.771 -25.068 -17.131 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -21.711 -24.920 -14.604 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -23.246 -24.903 -15.449 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -21.200 -26.950 -16.274 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -22.042 -27.193 -14.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -23.191 -28.270 -16.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -24.158 -27.031 -15.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -23.342 -26.796 -17.406 1.00 0.00 H new ATOM 477 N ARG A 32 -23.575 -21.705 -15.337 1.00 0.00 N ATOM 478 CA ARG A 32 -24.980 -21.753 -14.951 1.00 0.00 C ATOM 479 C ARG A 32 -25.789 -20.710 -15.716 1.00 0.00 C ATOM 480 O ARG A 32 -26.972 -20.909 -15.993 1.00 0.00 O ATOM 481 CB ARG A 32 -25.125 -21.524 -13.446 1.00 0.00 C ATOM 482 CG ARG A 32 -26.553 -21.663 -12.943 1.00 0.00 C ATOM 483 CD ARG A 32 -26.766 -22.989 -12.230 1.00 0.00 C ATOM 484 NE ARG A 32 -28.068 -23.054 -11.573 1.00 0.00 N ATOM 485 CZ ARG A 32 -28.421 -24.023 -10.735 1.00 0.00 C ATOM 486 NH1 ARG A 32 -27.572 -25.002 -10.454 1.00 0.00 N1+ ATOM 487 NH2 ARG A 32 -29.624 -24.013 -10.176 1.00 0.00 N ATOM 0 H ARG A 32 -22.940 -21.432 -14.587 1.00 0.00 H new ATOM 0 HA ARG A 32 -25.366 -22.741 -15.200 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -24.491 -22.235 -12.916 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -24.758 -20.527 -13.202 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -26.782 -20.842 -12.263 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -27.245 -21.584 -13.782 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -26.681 -23.804 -12.948 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -25.979 -23.133 -11.490 1.00 0.00 H new ATOM 0 HE ARG A 32 -28.744 -22.315 -11.768 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -26.646 -25.012 -10.881 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -27.845 -25.745 -9.810 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -30.279 -23.261 -10.389 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -29.894 -24.757 -9.533 1.00 0.00 H new ATOM 808 N PRO B 111 -8.382 -13.920 9.618 1.00 0.00 N ATOM 809 CA PRO B 111 -8.410 -13.772 8.160 1.00 0.00 C ATOM 810 C PRO B 111 -9.493 -12.804 7.697 1.00 0.00 C ATOM 811 O PRO B 111 -10.317 -13.140 6.846 1.00 0.00 O ATOM 812 CB PRO B 111 -8.713 -15.189 7.666 1.00 0.00 C ATOM 813 CG PRO B 111 -9.428 -15.841 8.799 1.00 0.00 C ATOM 814 CD PRO B 111 -8.845 -15.249 10.052 1.00 0.00 C ATOM 0 HA PRO B 111 -7.477 -13.361 7.774 1.00 0.00 H new ATOM 0 HB2 PRO B 111 -9.329 -15.171 6.767 1.00 0.00 H new ATOM 0 HB3 PRO B 111 -7.798 -15.725 7.415 1.00 0.00 H new ATOM 0 HG2 PRO B 111 -10.501 -15.655 8.742 1.00 0.00 H new ATOM 0 HG3 PRO B 111 -9.290 -16.922 8.777 1.00 0.00 H new ATOM 0 HD2 PRO B 111 -9.589 -15.176 10.846 1.00 0.00 H new ATOM 0 HD3 PRO B 111 -8.025 -15.854 10.438 1.00 0.00 H new ATOM 822 N VAL B 112 -9.485 -11.600 8.261 1.00 0.00 N ATOM 823 CA VAL B 112 -10.465 -10.582 7.903 1.00 0.00 C ATOM 824 C VAL B 112 -10.093 -9.896 6.594 1.00 0.00 C ATOM 825 O VAL B 112 -10.962 -9.548 5.794 1.00 0.00 O ATOM 826 CB VAL B 112 -10.597 -9.518 9.009 1.00 0.00 C ATOM 827 CG1 VAL B 112 -9.259 -8.839 9.260 1.00 0.00 C ATOM 828 CG2 VAL B 112 -11.662 -8.496 8.639 1.00 0.00 C ATOM 0 H VAL B 112 -8.811 -11.306 8.968 1.00 0.00 H new ATOM 0 HA VAL B 112 -11.421 -11.091 7.783 1.00 0.00 H new ATOM 0 HB VAL B 112 -10.904 -10.012 9.931 1.00 0.00 H new ATOM 0 HG11 VAL B 112 -9.372 -8.091 10.044 1.00 0.00 H new ATOM 0 HG12 VAL B 112 -8.526 -9.583 9.572 1.00 0.00 H new ATOM 0 HG13 VAL B 112 -8.919 -8.356 8.344 1.00 0.00 H new ATOM 0 HG21 VAL B 112 -11.743 -7.751 9.431 1.00 0.00 H new ATOM 0 HG22 VAL B 112 -11.386 -8.005 7.706 1.00 0.00 H new ATOM 0 HG23 VAL B 112 -12.621 -8.999 8.515 1.00 0.00 H new ATOM 838 N TYR B 113 -8.796 -9.704 6.381 1.00 0.00 N ATOM 839 CA TYR B 113 -8.307 -9.059 5.169 1.00 0.00 C ATOM 840 C TYR B 113 -8.473 -9.975 3.959 1.00 0.00 C ATOM 841 O TYR B 113 -8.997 -9.566 2.923 1.00 0.00 O ATOM 842 CB TYR B 113 -6.837 -8.669 5.330 1.00 0.00 C ATOM 843 CG TYR B 113 -6.624 -7.189 5.556 1.00 0.00 C ATOM 844 CD1 TYR B 113 -7.438 -6.475 6.426 1.00 0.00 C ATOM 845 CD2 TYR B 113 -5.610 -6.505 4.898 1.00 0.00 C ATOM 846 CE1 TYR B 113 -7.248 -5.123 6.635 1.00 0.00 C ATOM 847 CE2 TYR B 113 -5.411 -5.153 5.102 1.00 0.00 C ATOM 848 CZ TYR B 113 -6.233 -4.467 5.971 1.00 0.00 C ATOM 849 OH TYR B 113 -6.039 -3.120 6.176 1.00 0.00 O ATOM 0 H TYR B 113 -8.064 -9.986 7.033 1.00 0.00 H new ATOM 0 HA TYR B 113 -8.898 -8.158 5.004 1.00 0.00 H new ATOM 0 HB2 TYR B 113 -6.413 -9.221 6.169 1.00 0.00 H new ATOM 0 HB3 TYR B 113 -6.289 -8.974 4.439 1.00 0.00 H new ATOM 0 HD1 TYR B 113 -8.233 -6.986 6.948 1.00 0.00 H new ATOM 0 HD2 TYR B 113 -4.966 -7.039 4.215 1.00 0.00 H new ATOM 0 HE1 TYR B 113 -7.891 -4.583 7.314 1.00 0.00 H new ATOM 0 HE2 TYR B 113 -4.616 -4.637 4.584 1.00 0.00 H new ATOM 0 HH TYR B 113 -5.283 -2.812 5.634 1.00 0.00 H new ATOM 859 N CYS B 114 -8.022 -11.217 4.100 1.00 0.00 N ATOM 860 CA CYS B 114 -8.120 -12.193 3.022 1.00 0.00 C ATOM 861 C CYS B 114 -9.578 -12.525 2.720 1.00 0.00 C ATOM 862 O CYS B 114 -9.923 -12.882 1.593 1.00 0.00 O ATOM 863 CB CYS B 114 -7.360 -13.469 3.391 1.00 0.00 C ATOM 864 SG CYS B 114 -6.674 -14.365 1.961 1.00 0.00 S ATOM 0 H CYS B 114 -7.585 -11.571 4.951 1.00 0.00 H new ATOM 0 HA CYS B 114 -7.673 -11.757 2.129 1.00 0.00 H new ATOM 0 HB2 CYS B 114 -6.547 -13.211 4.069 1.00 0.00 H new ATOM 0 HB3 CYS B 114 -8.030 -14.134 3.935 1.00 0.00 H new ATOM 869 N SER B 115 -10.429 -12.406 3.734 1.00 0.00 N ATOM 870 CA SER B 115 -11.849 -12.697 3.578 1.00 0.00 C ATOM 871 C SER B 115 -12.562 -11.554 2.861 1.00 0.00 C ATOM 872 O SER B 115 -13.266 -11.769 1.874 1.00 0.00 O ATOM 873 CB SER B 115 -12.495 -12.939 4.944 1.00 0.00 C ATOM 874 OG SER B 115 -12.209 -14.243 5.419 1.00 0.00 O ATOM 0 H SER B 115 -10.160 -12.110 4.672 1.00 0.00 H new ATOM 0 HA SER B 115 -11.946 -13.599 2.974 1.00 0.00 H new ATOM 0 HB2 SER B 115 -12.131 -12.200 5.658 1.00 0.00 H new ATOM 0 HB3 SER B 115 -13.574 -12.804 4.869 1.00 0.00 H new ATOM 0 HG SER B 115 -11.612 -14.185 6.194 1.00 0.00 H new ATOM 880 N ILE B 116 -12.375 -10.339 3.366 1.00 0.00 N ATOM 881 CA ILE B 116 -12.999 -9.162 2.775 1.00 0.00 C ATOM 882 C ILE B 116 -12.457 -8.898 1.374 1.00 0.00 C ATOM 883 O ILE B 116 -13.198 -8.500 0.474 1.00 0.00 O ATOM 884 CB ILE B 116 -12.776 -7.910 3.644 1.00 0.00 C ATOM 885 CG1 ILE B 116 -13.409 -8.102 5.024 1.00 0.00 C ATOM 886 CG2 ILE B 116 -13.351 -6.680 2.958 1.00 0.00 C ATOM 887 CD1 ILE B 116 -12.927 -7.103 6.053 1.00 0.00 C ATOM 0 H ILE B 116 -11.796 -10.144 4.183 1.00 0.00 H new ATOM 0 HA ILE B 116 -14.068 -9.367 2.716 1.00 0.00 H new ATOM 0 HB ILE B 116 -11.704 -7.761 3.774 1.00 0.00 H new ATOM 0 HG12 ILE B 116 -14.492 -8.023 4.932 1.00 0.00 H new ATOM 0 HG13 ILE B 116 -13.191 -9.110 5.378 1.00 0.00 H new ATOM 0 HG21 ILE B 116 -13.186 -5.803 3.584 1.00 0.00 H new ATOM 0 HG22 ILE B 116 -12.859 -6.537 1.996 1.00 0.00 H new ATOM 0 HG23 ILE B 116 -14.421 -6.817 2.801 1.00 0.00 H new ATOM 0 HD11 ILE B 116 -13.417 -7.298 7.007 1.00 0.00 H new ATOM 0 HD12 ILE B 116 -11.848 -7.197 6.173 1.00 0.00 H new ATOM 0 HD13 ILE B 116 -13.169 -6.093 5.721 1.00 0.00 H new ATOM 899 N LEU B 117 -11.160 -9.122 1.196 1.00 0.00 N ATOM 900 CA LEU B 117 -10.517 -8.910 -0.097 1.00 0.00 C ATOM 901 C LEU B 117 -11.030 -9.908 -1.130 1.00 0.00 C ATOM 902 O LEU B 117 -11.552 -9.521 -2.175 1.00 0.00 O ATOM 903 CB LEU B 117 -8.999 -9.035 0.040 1.00 0.00 C ATOM 904 CG LEU B 117 -8.187 -8.782 -1.231 1.00 0.00 C ATOM 905 CD1 LEU B 117 -7.385 -7.496 -1.104 1.00 0.00 C ATOM 906 CD2 LEU B 117 -7.269 -9.959 -1.522 1.00 0.00 C ATOM 0 H LEU B 117 -10.533 -9.450 1.930 1.00 0.00 H new ATOM 0 HA LEU B 117 -10.763 -7.904 -0.437 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -8.665 -8.335 0.806 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -8.768 -10.037 0.401 1.00 0.00 H new ATOM 0 HG LEU B 117 -8.880 -8.674 -2.066 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -6.813 -7.332 -2.017 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -8.064 -6.658 -0.945 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -6.702 -7.575 -0.258 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -6.700 -9.760 -2.430 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -6.583 -10.100 -0.687 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -7.866 -10.861 -1.658 1.00 0.00 H new ATOM 918 N ALA B 118 -10.879 -11.194 -0.830 1.00 0.00 N ATOM 919 CA ALA B 118 -11.331 -12.247 -1.730 1.00 0.00 C ATOM 920 C ALA B 118 -12.784 -12.032 -2.141 1.00 0.00 C ATOM 921 O ALA B 118 -13.156 -12.270 -3.290 1.00 0.00 O ATOM 922 CB ALA B 118 -11.161 -13.610 -1.076 1.00 0.00 C ATOM 0 H ALA B 118 -10.447 -11.531 0.030 1.00 0.00 H new ATOM 0 HA ALA B 118 -10.717 -12.210 -2.630 1.00 0.00 H new ATOM 0 HB1 ALA B 118 -11.503 -14.387 -1.760 1.00 0.00 H new ATOM 0 HB2 ALA B 118 -10.109 -13.772 -0.840 1.00 0.00 H new ATOM 0 HB3 ALA B 118 -11.749 -13.649 -0.159 1.00 0.00 H new ATOM 928 N ALA B 119 -13.601 -11.583 -1.194 1.00 0.00 N ATOM 929 CA ALA B 119 -15.013 -11.335 -1.458 1.00 0.00 C ATOM 930 C ALA B 119 -15.191 -10.269 -2.535 1.00 0.00 C ATOM 931 O ALA B 119 -15.838 -10.506 -3.555 1.00 0.00 O ATOM 932 CB ALA B 119 -15.724 -10.920 -0.179 1.00 0.00 C ATOM 0 H ALA B 119 -13.309 -11.384 -0.237 1.00 0.00 H new ATOM 0 HA ALA B 119 -15.457 -12.261 -1.823 1.00 0.00 H new ATOM 0 HB1 ALA B 119 -16.778 -10.738 -0.391 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -15.635 -11.715 0.561 1.00 0.00 H new ATOM 0 HB3 ALA B 119 -15.270 -10.009 0.211 1.00 0.00 H new ATOM 938 N VAL B 120 -14.615 -9.095 -2.299 1.00 0.00 N ATOM 939 CA VAL B 120 -14.711 -7.993 -3.249 1.00 0.00 C ATOM 940 C VAL B 120 -14.169 -8.396 -4.616 1.00 0.00 C ATOM 941 O VAL B 120 -14.734 -8.039 -5.650 1.00 0.00 O ATOM 942 CB VAL B 120 -13.943 -6.754 -2.750 1.00 0.00 C ATOM 943 CG1 VAL B 120 -14.184 -5.569 -3.673 1.00 0.00 C ATOM 944 CG2 VAL B 120 -14.346 -6.418 -1.322 1.00 0.00 C ATOM 0 H VAL B 120 -14.077 -8.882 -1.459 1.00 0.00 H new ATOM 0 HA VAL B 120 -15.768 -7.745 -3.340 1.00 0.00 H new ATOM 0 HB VAL B 120 -12.877 -6.980 -2.759 1.00 0.00 H new ATOM 0 HG11 VAL B 120 -13.634 -4.703 -3.305 1.00 0.00 H new ATOM 0 HG12 VAL B 120 -13.842 -5.815 -4.678 1.00 0.00 H new ATOM 0 HG13 VAL B 120 -15.249 -5.338 -3.698 1.00 0.00 H new ATOM 0 HG21 VAL B 120 -13.794 -5.540 -0.985 1.00 0.00 H new ATOM 0 HG22 VAL B 120 -15.415 -6.210 -1.285 1.00 0.00 H new ATOM 0 HG23 VAL B 120 -14.118 -7.262 -0.671 1.00 0.00 H new ATOM 954 N VAL B 121 -13.070 -9.144 -4.613 1.00 0.00 N ATOM 955 CA VAL B 121 -12.452 -9.599 -5.853 1.00 0.00 C ATOM 956 C VAL B 121 -13.394 -10.506 -6.636 1.00 0.00 C ATOM 957 O VAL B 121 -13.737 -10.220 -7.784 1.00 0.00 O ATOM 958 CB VAL B 121 -11.138 -10.355 -5.580 1.00 0.00 C ATOM 959 CG1 VAL B 121 -10.486 -10.781 -6.887 1.00 0.00 C ATOM 960 CG2 VAL B 121 -10.189 -9.495 -4.758 1.00 0.00 C ATOM 0 H VAL B 121 -12.590 -9.448 -3.766 1.00 0.00 H new ATOM 0 HA VAL B 121 -12.235 -8.709 -6.444 1.00 0.00 H new ATOM 0 HB VAL B 121 -11.368 -11.253 -5.006 1.00 0.00 H new ATOM 0 HG11 VAL B 121 -9.559 -11.314 -6.675 1.00 0.00 H new ATOM 0 HG12 VAL B 121 -11.163 -11.436 -7.435 1.00 0.00 H new ATOM 0 HG13 VAL B 121 -10.268 -9.899 -7.489 1.00 0.00 H new ATOM 0 HG21 VAL B 121 -9.266 -10.045 -4.575 1.00 0.00 H new ATOM 0 HG22 VAL B 121 -9.963 -8.579 -5.304 1.00 0.00 H new ATOM 0 HG23 VAL B 121 -10.657 -9.244 -3.806 1.00 0.00 H new ATOM 970 N VAL B 122 -13.811 -11.600 -6.008 1.00 0.00 N ATOM 971 CA VAL B 122 -14.714 -12.551 -6.646 1.00 0.00 C ATOM 972 C VAL B 122 -15.942 -11.847 -7.212 1.00 0.00 C ATOM 973 O VAL B 122 -16.190 -11.879 -8.416 1.00 0.00 O ATOM 974 CB VAL B 122 -15.171 -13.641 -5.658 1.00 0.00 C ATOM 975 CG1 VAL B 122 -16.143 -14.598 -6.331 1.00 0.00 C ATOM 976 CG2 VAL B 122 -13.970 -14.391 -5.102 1.00 0.00 C ATOM 0 H VAL B 122 -13.538 -11.850 -5.058 1.00 0.00 H new ATOM 0 HA VAL B 122 -14.159 -13.018 -7.459 1.00 0.00 H new ATOM 0 HB VAL B 122 -15.688 -13.161 -4.827 1.00 0.00 H new ATOM 0 HG11 VAL B 122 -16.455 -15.361 -5.618 1.00 0.00 H new ATOM 0 HG12 VAL B 122 -17.017 -14.046 -6.677 1.00 0.00 H new ATOM 0 HG13 VAL B 122 -15.655 -15.074 -7.181 1.00 0.00 H new ATOM 0 HG21 VAL B 122 -14.310 -15.157 -4.406 1.00 0.00 H new ATOM 0 HG22 VAL B 122 -13.424 -14.861 -5.920 1.00 0.00 H new ATOM 0 HG23 VAL B 122 -13.314 -13.693 -4.581 1.00 0.00 H new ATOM 986 N GLY B 123 -16.710 -11.209 -6.333 1.00 0.00 N ATOM 987 CA GLY B 123 -17.904 -10.506 -6.763 1.00 0.00 C ATOM 988 C GLY B 123 -17.630 -9.536 -7.895 1.00 0.00 C ATOM 989 O GLY B 123 -18.342 -9.526 -8.900 1.00 0.00 O ATOM 0 H GLY B 123 -16.526 -11.167 -5.331 1.00 0.00 H new ATOM 0 HA2 GLY B 123 -18.653 -11.230 -7.083 1.00 0.00 H new ATOM 0 HA3 GLY B 123 -18.326 -9.963 -5.918 1.00 0.00 H new ATOM 993 N LEU B 124 -16.596 -8.718 -7.734 1.00 0.00 N ATOM 994 CA LEU B 124 -16.229 -7.738 -8.750 1.00 0.00 C ATOM 995 C LEU B 124 -16.092 -8.398 -10.118 1.00 0.00 C ATOM 996 O LEU B 124 -16.821 -8.069 -11.054 1.00 0.00 O ATOM 997 CB LEU B 124 -14.918 -7.047 -8.371 1.00 0.00 C ATOM 998 CG LEU B 124 -14.358 -6.062 -9.397 1.00 0.00 C ATOM 999 CD1 LEU B 124 -15.271 -4.853 -9.531 1.00 0.00 C ATOM 1000 CD2 LEU B 124 -12.951 -5.630 -9.009 1.00 0.00 C ATOM 0 H LEU B 124 -15.996 -8.714 -6.909 1.00 0.00 H new ATOM 0 HA LEU B 124 -17.023 -6.993 -8.804 1.00 0.00 H new ATOM 0 HB2 LEU B 124 -15.069 -6.515 -7.431 1.00 0.00 H new ATOM 0 HB3 LEU B 124 -14.166 -7.814 -8.186 1.00 0.00 H new ATOM 0 HG LEU B 124 -14.309 -6.563 -10.364 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -14.856 -4.163 -10.266 1.00 0.00 H new ATOM 0 HD12 LEU B 124 -16.259 -5.178 -9.856 1.00 0.00 H new ATOM 0 HD13 LEU B 124 -15.353 -4.350 -8.567 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -12.568 -4.929 -9.751 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -12.975 -5.147 -8.032 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -12.301 -6.504 -8.966 1.00 0.00 H new