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 180:sc= 0 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 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 155 N PRO A 11 2.058 -14.998 2.295 1.00 0.00 N ATOM 156 CA PRO A 11 0.760 -14.619 1.729 1.00 0.00 C ATOM 157 C PRO A 11 0.419 -15.418 0.476 1.00 0.00 C ATOM 158 O PRO A 11 -0.675 -15.291 -0.075 1.00 0.00 O ATOM 159 CB PRO A 11 0.943 -13.138 1.384 1.00 0.00 C ATOM 160 CG PRO A 11 2.409 -12.974 1.184 1.00 0.00 C ATOM 161 CD PRO A 11 3.068 -13.939 2.131 1.00 0.00 C ATOM 0 HA PRO A 11 -0.059 -14.812 2.422 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.388 -12.870 0.485 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.579 -12.497 2.187 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.688 -13.188 0.152 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.719 -11.950 1.392 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.999 -14.331 1.722 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.312 -13.466 3.082 1.00 0.00 H new ATOM 169 N VAL A 12 1.362 -16.243 0.030 1.00 0.00 N ATOM 170 CA VAL A 12 1.159 -17.066 -1.157 1.00 0.00 C ATOM 171 C VAL A 12 -0.164 -17.819 -1.084 1.00 0.00 C ATOM 172 O VAL A 12 -0.771 -18.128 -2.111 1.00 0.00 O ATOM 173 CB VAL A 12 2.305 -18.078 -1.340 1.00 0.00 C ATOM 174 CG1 VAL A 12 2.109 -19.277 -0.425 1.00 0.00 C ATOM 175 CG2 VAL A 12 2.401 -18.517 -2.793 1.00 0.00 C ATOM 0 H VAL A 12 2.274 -16.359 0.473 1.00 0.00 H new ATOM 0 HA VAL A 12 1.141 -16.390 -2.012 1.00 0.00 H new ATOM 0 HB VAL A 12 3.242 -17.592 -1.068 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.928 -19.982 -0.568 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.094 -18.944 0.613 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.164 -19.766 -0.663 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.216 -19.232 -2.904 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.464 -18.985 -3.094 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.592 -17.649 -3.424 1.00 0.00 H new ATOM 185 N TYR A 13 -0.607 -18.111 0.133 1.00 0.00 N ATOM 186 CA TYR A 13 -1.858 -18.831 0.340 1.00 0.00 C ATOM 187 C TYR A 13 -3.054 -17.971 -0.053 1.00 0.00 C ATOM 188 O TYR A 13 -3.929 -18.408 -0.801 1.00 0.00 O ATOM 189 CB TYR A 13 -1.985 -19.265 1.801 1.00 0.00 C ATOM 190 CG TYR A 13 -0.725 -19.888 2.361 1.00 0.00 C ATOM 191 CD1 TYR A 13 0.010 -20.803 1.617 1.00 0.00 C ATOM 192 CD2 TYR A 13 -0.271 -19.560 3.631 1.00 0.00 C ATOM 193 CE1 TYR A 13 1.161 -21.374 2.125 1.00 0.00 C ATOM 194 CE2 TYR A 13 0.880 -20.125 4.147 1.00 0.00 C ATOM 195 CZ TYR A 13 1.592 -21.033 3.390 1.00 0.00 C ATOM 196 OH TYR A 13 2.738 -21.598 3.898 1.00 0.00 O ATOM 0 H TYR A 13 -0.118 -17.860 0.992 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.847 -19.716 -0.296 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.252 -18.399 2.406 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.803 -19.980 1.889 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.324 -21.072 0.626 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.827 -18.851 4.226 1.00 0.00 H new ATOM 0 HE1 TYR A 13 1.721 -22.084 1.534 1.00 0.00 H new ATOM 0 HE2 TYR A 13 1.220 -19.858 5.137 1.00 0.00 H new ATOM 0 HH TYR A 13 2.902 -21.250 4.799 1.00 0.00 H new ATOM 206 N CYS A 14 -3.085 -16.744 0.455 1.00 0.00 N ATOM 207 CA CYS A 14 -4.172 -15.819 0.158 1.00 0.00 C ATOM 208 C CYS A 14 -4.208 -15.482 -1.329 1.00 0.00 C ATOM 209 O CYS A 14 -5.274 -15.248 -1.898 1.00 0.00 O ATOM 210 CB CYS A 14 -4.017 -14.537 0.980 1.00 0.00 C ATOM 211 SG CYS A 14 -5.575 -13.628 1.238 1.00 0.00 S ATOM 0 H CYS A 14 -2.369 -16.367 1.075 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.111 -16.303 0.425 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -3.591 -14.790 1.951 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.304 -13.881 0.480 1.00 0.00 H new ATOM 216 N SER A 15 -3.034 -15.459 -1.953 1.00 0.00 N ATOM 217 CA SER A 15 -2.930 -15.145 -3.374 1.00 0.00 C ATOM 218 C SER A 15 -3.427 -16.310 -4.225 1.00 0.00 C ATOM 219 O SER A 15 -4.293 -16.141 -5.084 1.00 0.00 O ATOM 220 CB SER A 15 -1.482 -14.812 -3.740 1.00 0.00 C ATOM 221 OG SER A 15 -1.040 -13.650 -3.061 1.00 0.00 O ATOM 0 H SER A 15 -2.142 -15.654 -1.498 1.00 0.00 H new ATOM 0 HA SER A 15 -3.557 -14.276 -3.576 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.837 -15.653 -3.486 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.401 -14.661 -4.816 1.00 0.00 H new ATOM 0 HG SER A 15 -0.112 -13.459 -3.310 1.00 0.00 H new ATOM 227 N ILE A 16 -2.872 -17.493 -3.980 1.00 0.00 N ATOM 228 CA ILE A 16 -3.260 -18.686 -4.720 1.00 0.00 C ATOM 229 C ILE A 16 -4.717 -19.049 -4.454 1.00 0.00 C ATOM 230 O ILE A 16 -5.431 -19.499 -5.352 1.00 0.00 O ATOM 231 CB ILE A 16 -2.369 -19.888 -4.358 1.00 0.00 C ATOM 232 CG1 ILE A 16 -0.903 -19.574 -4.661 1.00 0.00 C ATOM 233 CG2 ILE A 16 -2.818 -21.129 -5.116 1.00 0.00 C ATOM 234 CD1 ILE A 16 0.072 -20.441 -3.894 1.00 0.00 C ATOM 0 H ILE A 16 -2.152 -17.650 -3.274 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.133 -18.456 -5.778 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.466 -20.084 -3.290 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.726 -19.700 -5.729 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.708 -18.527 -4.427 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.178 -21.970 -4.849 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.850 -21.361 -4.855 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.748 -20.946 -6.188 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.092 -20.163 -4.159 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.077 -20.297 -2.824 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.096 -21.488 -4.146 1.00 0.00 H new ATOM 246 N LEU A 17 -5.154 -18.848 -3.216 1.00 0.00 N ATOM 247 CA LEU A 17 -6.528 -19.150 -2.831 1.00 0.00 C ATOM 248 C LEU A 17 -7.510 -18.224 -3.541 1.00 0.00 C ATOM 249 O LEU A 17 -8.419 -18.680 -4.232 1.00 0.00 O ATOM 250 CB LEU A 17 -6.693 -19.023 -1.315 1.00 0.00 C ATOM 251 CG LEU A 17 -8.126 -19.100 -0.788 1.00 0.00 C ATOM 252 CD1 LEU A 17 -8.153 -19.734 0.594 1.00 0.00 C ATOM 253 CD2 LEU A 17 -8.757 -17.715 -0.754 1.00 0.00 C ATOM 0 H LEU A 17 -4.577 -18.477 -2.461 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.746 -20.176 -3.130 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.109 -19.811 -0.839 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.262 -18.072 -1.001 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.708 -19.726 -1.464 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -9.181 -19.780 0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.742 -20.742 0.540 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.556 -19.135 1.281 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.777 -17.789 -0.376 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.174 -17.066 -0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.772 -17.297 -1.761 1.00 0.00 H new ATOM 265 N ALA A 18 -7.316 -16.921 -3.366 1.00 0.00 N ATOM 266 CA ALA A 18 -8.182 -15.930 -3.994 1.00 0.00 C ATOM 267 C ALA A 18 -8.346 -16.210 -5.485 1.00 0.00 C ATOM 268 O ALA A 18 -9.456 -16.167 -6.015 1.00 0.00 O ATOM 269 CB ALA A 18 -7.626 -14.531 -3.777 1.00 0.00 C ATOM 0 H ALA A 18 -6.568 -16.527 -2.795 1.00 0.00 H new ATOM 0 HA ALA A 18 -9.165 -15.995 -3.528 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -8.282 -13.801 -4.251 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.566 -14.325 -2.708 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.631 -14.463 -4.216 1.00 0.00 H new ATOM 275 N ALA A 19 -7.235 -16.497 -6.155 1.00 0.00 N ATOM 276 CA ALA A 19 -7.256 -16.784 -7.583 1.00 0.00 C ATOM 277 C ALA A 19 -8.155 -17.977 -7.889 1.00 0.00 C ATOM 278 O ALA A 19 -9.076 -17.880 -8.701 1.00 0.00 O ATOM 279 CB ALA A 19 -5.845 -17.040 -8.091 1.00 0.00 C ATOM 0 H ALA A 19 -6.308 -16.537 -5.731 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.663 -15.914 -8.098 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.876 -17.253 -9.160 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.229 -16.158 -7.915 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.417 -17.893 -7.563 1.00 0.00 H new ATOM 285 N VAL A 20 -7.883 -19.101 -7.236 1.00 0.00 N ATOM 286 CA VAL A 20 -8.668 -20.313 -7.438 1.00 0.00 C ATOM 287 C VAL A 20 -10.149 -20.058 -7.176 1.00 0.00 C ATOM 288 O VAL A 20 -11.009 -20.491 -7.944 1.00 0.00 O ATOM 289 CB VAL A 20 -8.185 -21.454 -6.524 1.00 0.00 C ATOM 290 CG1 VAL A 20 -8.982 -22.723 -6.786 1.00 0.00 C ATOM 291 CG2 VAL A 20 -6.697 -21.701 -6.721 1.00 0.00 C ATOM 0 H VAL A 20 -7.124 -19.198 -6.562 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.531 -20.609 -8.478 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.348 -21.158 -5.488 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.626 -23.518 -6.131 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.038 -22.537 -6.590 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.854 -23.025 -7.825 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.373 -22.511 -6.067 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.508 -21.975 -7.759 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.142 -20.795 -6.478 1.00 0.00 H new ATOM 301 N VAL A 21 -10.438 -19.354 -6.087 1.00 0.00 N ATOM 302 CA VAL A 21 -11.815 -19.042 -5.723 1.00 0.00 C ATOM 303 C VAL A 21 -12.527 -18.303 -6.851 1.00 0.00 C ATOM 304 O VAL A 21 -13.542 -18.769 -7.370 1.00 0.00 O ATOM 305 CB VAL A 21 -11.877 -18.185 -4.445 1.00 0.00 C ATOM 306 CG1 VAL A 21 -13.317 -17.822 -4.114 1.00 0.00 C ATOM 307 CG2 VAL A 21 -11.223 -18.916 -3.282 1.00 0.00 C ATOM 0 H VAL A 21 -9.738 -18.989 -5.442 1.00 0.00 H new ATOM 0 HA VAL A 21 -12.317 -19.992 -5.540 1.00 0.00 H new ATOM 0 HB VAL A 21 -11.326 -17.261 -4.621 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -13.341 -17.216 -3.208 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -13.749 -17.256 -4.940 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -13.895 -18.733 -3.957 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -11.276 -18.296 -2.387 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -11.745 -19.856 -3.104 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.179 -19.120 -3.521 1.00 0.00 H new ATOM 317 N VAL A 22 -11.989 -17.148 -7.228 1.00 0.00 N ATOM 318 CA VAL A 22 -12.571 -16.345 -8.297 1.00 0.00 C ATOM 319 C VAL A 22 -12.804 -17.183 -9.549 1.00 0.00 C ATOM 320 O VAL A 22 -13.940 -17.365 -9.984 1.00 0.00 O ATOM 321 CB VAL A 22 -11.671 -15.147 -8.654 1.00 0.00 C ATOM 322 CG1 VAL A 22 -12.184 -14.447 -9.902 1.00 0.00 C ATOM 323 CG2 VAL A 22 -11.588 -14.177 -7.484 1.00 0.00 C ATOM 0 H VAL A 22 -11.150 -16.747 -6.809 1.00 0.00 H new ATOM 0 HA VAL A 22 -13.527 -15.974 -7.929 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.667 -15.517 -8.862 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.536 -13.603 -10.139 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.187 -15.148 -10.737 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -13.198 -14.087 -9.727 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.948 -13.336 -7.753 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -12.586 -13.811 -7.243 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.170 -14.688 -6.617 1.00 0.00 H new ATOM 333 N GLY A 23 -11.718 -17.690 -10.125 1.00 0.00 N ATOM 334 CA GLY A 23 -11.826 -18.505 -11.321 1.00 0.00 C ATOM 335 C GLY A 23 -12.822 -19.636 -11.166 1.00 0.00 C ATOM 336 O GLY A 23 -13.597 -19.922 -12.079 1.00 0.00 O ATOM 0 H GLY A 23 -10.766 -17.551 -9.785 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.124 -17.876 -12.160 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.847 -18.918 -11.564 1.00 0.00 H new ATOM 340 N LEU A 24 -12.801 -20.285 -10.006 1.00 0.00 N ATOM 341 CA LEU A 24 -13.709 -21.394 -9.734 1.00 0.00 C ATOM 342 C LEU A 24 -15.163 -20.955 -9.881 1.00 0.00 C ATOM 343 O LEU A 24 -15.897 -21.474 -10.722 1.00 0.00 O ATOM 344 CB LEU A 24 -13.469 -21.941 -8.325 1.00 0.00 C ATOM 345 CG LEU A 24 -14.341 -23.126 -7.909 1.00 0.00 C ATOM 346 CD1 LEU A 24 -13.496 -24.382 -7.758 1.00 0.00 C ATOM 347 CD2 LEU A 24 -15.077 -22.817 -6.613 1.00 0.00 C ATOM 0 H LEU A 24 -12.166 -20.062 -9.240 1.00 0.00 H new ATOM 0 HA LEU A 24 -13.511 -22.181 -10.461 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -12.424 -22.239 -8.246 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -13.625 -21.132 -7.611 1.00 0.00 H new ATOM 0 HG LEU A 24 -15.080 -23.302 -8.690 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -14.133 -25.215 -7.462 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -13.015 -24.613 -8.708 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -12.734 -24.219 -6.996 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -15.693 -23.671 -6.332 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -14.354 -22.615 -5.823 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -15.712 -21.943 -6.755 1.00 0.00 H new ATOM 359 N VAL A 25 -15.572 -19.996 -9.057 1.00 0.00 N ATOM 360 CA VAL A 25 -16.937 -19.484 -9.098 1.00 0.00 C ATOM 361 C VAL A 25 -17.302 -19.004 -10.498 1.00 0.00 C ATOM 362 O VAL A 25 -18.464 -19.056 -10.900 1.00 0.00 O ATOM 363 CB VAL A 25 -17.132 -18.325 -8.103 1.00 0.00 C ATOM 364 CG1 VAL A 25 -18.568 -17.826 -8.138 1.00 0.00 C ATOM 365 CG2 VAL A 25 -16.744 -18.759 -6.697 1.00 0.00 C ATOM 0 H VAL A 25 -14.978 -19.558 -8.353 1.00 0.00 H new ATOM 0 HA VAL A 25 -17.593 -20.308 -8.817 1.00 0.00 H new ATOM 0 HB VAL A 25 -16.480 -17.503 -8.398 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -18.686 -17.007 -7.428 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -18.806 -17.474 -9.142 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -19.242 -18.639 -7.869 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -16.888 -17.928 -6.007 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -17.368 -19.598 -6.390 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -15.697 -19.063 -6.686 1.00 0.00 H new ATOM 375 N ALA A 26 -16.301 -18.537 -11.237 1.00 0.00 N ATOM 376 CA ALA A 26 -16.516 -18.048 -12.593 1.00 0.00 C ATOM 377 C ALA A 26 -16.663 -19.204 -13.577 1.00 0.00 C ATOM 378 O ALA A 26 -17.320 -19.074 -14.609 1.00 0.00 O ATOM 379 CB ALA A 26 -15.372 -17.137 -13.014 1.00 0.00 C ATOM 0 H ALA A 26 -15.333 -18.487 -10.919 1.00 0.00 H new ATOM 0 HA ALA A 26 -17.444 -17.476 -12.603 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -15.546 -16.779 -14.029 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -15.315 -16.287 -12.334 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -14.434 -17.692 -12.981 1.00 0.00 H new ATOM 385 N TYR A 27 -16.047 -20.335 -13.249 1.00 0.00 N ATOM 386 CA TYR A 27 -16.108 -21.514 -14.105 1.00 0.00 C ATOM 387 C TYR A 27 -17.472 -22.190 -14.004 1.00 0.00 C ATOM 388 O TYR A 27 -18.057 -22.587 -15.012 1.00 0.00 O ATOM 389 CB TYR A 27 -15.007 -22.505 -13.723 1.00 0.00 C ATOM 390 CG TYR A 27 -15.096 -23.823 -14.458 1.00 0.00 C ATOM 391 CD1 TYR A 27 -15.036 -23.872 -15.845 1.00 0.00 C ATOM 392 CD2 TYR A 27 -15.239 -25.019 -13.766 1.00 0.00 C ATOM 393 CE1 TYR A 27 -15.118 -25.074 -16.522 1.00 0.00 C ATOM 394 CE2 TYR A 27 -15.321 -26.225 -14.433 1.00 0.00 C ATOM 395 CZ TYR A 27 -15.260 -26.248 -15.811 1.00 0.00 C ATOM 396 OH TYR A 27 -15.341 -27.447 -16.480 1.00 0.00 O ATOM 0 H TYR A 27 -15.500 -20.460 -12.397 1.00 0.00 H new ATOM 0 HA TYR A 27 -15.957 -21.192 -15.135 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -14.036 -22.052 -13.924 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -15.055 -22.693 -12.650 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -14.923 -22.955 -16.404 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -15.287 -25.005 -12.687 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -15.071 -25.094 -17.601 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -15.432 -27.145 -13.879 1.00 0.00 H new ATOM 0 HH TYR A 27 -15.437 -28.177 -15.833 1.00 0.00 H new ATOM 406 N ILE A 28 -17.974 -22.316 -12.779 1.00 0.00 N ATOM 407 CA ILE A 28 -19.268 -22.943 -12.546 1.00 0.00 C ATOM 408 C ILE A 28 -20.409 -22.010 -12.937 1.00 0.00 C ATOM 409 O ILE A 28 -21.352 -22.415 -13.615 1.00 0.00 O ATOM 410 CB ILE A 28 -19.438 -23.353 -11.072 1.00 0.00 C ATOM 411 CG1 ILE A 28 -18.329 -24.322 -10.659 1.00 0.00 C ATOM 412 CG2 ILE A 28 -20.807 -23.981 -10.851 1.00 0.00 C ATOM 413 CD1 ILE A 28 -17.650 -23.947 -9.359 1.00 0.00 C ATOM 0 H ILE A 28 -17.504 -21.992 -11.934 1.00 0.00 H new ATOM 0 HA ILE A 28 -19.302 -23.837 -13.169 1.00 0.00 H new ATOM 0 HB ILE A 28 -19.365 -22.460 -10.451 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -18.749 -25.323 -10.564 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -17.581 -24.364 -11.451 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -20.912 -24.266 -9.804 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -21.584 -23.262 -11.111 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -20.907 -24.866 -11.479 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -16.875 -24.678 -9.129 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -17.199 -22.959 -9.456 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -18.386 -23.933 -8.555 1.00 0.00 H new ATOM 425 N ALA A 29 -20.315 -20.755 -12.505 1.00 0.00 N ATOM 426 CA ALA A 29 -21.336 -19.763 -12.813 1.00 0.00 C ATOM 427 C ALA A 29 -21.495 -19.587 -14.319 1.00 0.00 C ATOM 428 O ALA A 29 -22.575 -19.800 -14.868 1.00 0.00 O ATOM 429 CB ALA A 29 -20.994 -18.433 -12.157 1.00 0.00 C ATOM 0 H ALA A 29 -19.542 -20.403 -11.941 1.00 0.00 H new ATOM 0 HA ALA A 29 -22.286 -20.119 -12.414 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -21.765 -17.701 -12.395 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -20.939 -18.564 -11.076 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -20.032 -18.081 -12.529 1.00 0.00 H new ATOM 435 N PHE A 30 -20.411 -19.195 -14.981 1.00 0.00 N ATOM 436 CA PHE A 30 -20.430 -18.988 -16.425 1.00 0.00 C ATOM 437 C PHE A 30 -21.001 -20.209 -17.141 1.00 0.00 C ATOM 438 O PHE A 30 -21.758 -20.081 -18.103 1.00 0.00 O ATOM 439 CB PHE A 30 -19.019 -18.695 -16.938 1.00 0.00 C ATOM 440 CG PHE A 30 -18.936 -18.588 -18.434 1.00 0.00 C ATOM 441 CD1 PHE A 30 -19.875 -17.858 -19.144 1.00 0.00 C ATOM 442 CD2 PHE A 30 -17.918 -19.220 -19.131 1.00 0.00 C ATOM 443 CE1 PHE A 30 -19.802 -17.757 -20.520 1.00 0.00 C ATOM 444 CE2 PHE A 30 -17.840 -19.123 -20.508 1.00 0.00 C ATOM 445 CZ PHE A 30 -18.783 -18.391 -21.203 1.00 0.00 C ATOM 0 H PHE A 30 -19.509 -19.014 -14.541 1.00 0.00 H new ATOM 0 HA PHE A 30 -21.071 -18.132 -16.636 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -18.666 -17.764 -16.495 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -18.347 -19.484 -16.600 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -20.675 -17.361 -18.615 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -17.178 -19.794 -18.593 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -20.540 -17.183 -21.060 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -17.042 -19.619 -21.040 1.00 0.00 H new ATOM 0 HZ PHE A 30 -18.723 -18.315 -22.279 1.00 0.00 H new ATOM 455 N LYS A 31 -20.632 -21.393 -16.665 1.00 0.00 N ATOM 456 CA LYS A 31 -21.107 -22.637 -17.257 1.00 0.00 C ATOM 457 C LYS A 31 -22.581 -22.865 -16.938 1.00 0.00 C ATOM 458 O LYS A 31 -23.303 -23.496 -17.710 1.00 0.00 O ATOM 459 CB LYS A 31 -20.276 -23.818 -16.748 1.00 0.00 C ATOM 460 CG LYS A 31 -19.018 -24.072 -17.561 1.00 0.00 C ATOM 461 CD LYS A 31 -18.996 -25.482 -18.128 1.00 0.00 C ATOM 462 CE LYS A 31 -19.970 -25.633 -19.286 1.00 0.00 C ATOM 463 NZ LYS A 31 -19.376 -26.403 -20.414 1.00 0.00 N1+ ATOM 0 H LYS A 31 -20.005 -21.517 -15.870 1.00 0.00 H new ATOM 0 HA LYS A 31 -20.996 -22.560 -18.339 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -19.997 -23.635 -15.710 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -20.893 -24.717 -16.758 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -18.958 -23.350 -18.376 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -18.140 -23.918 -16.933 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -17.988 -25.724 -18.465 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -19.249 -26.195 -17.343 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -20.872 -26.136 -18.938 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -20.271 -24.646 -19.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -20.071 -26.484 -21.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -18.529 -25.910 -20.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -19.112 -27.354 -20.085 1.00 0.00 H new ATOM 477 N ARG A 32 -23.021 -22.347 -15.796 1.00 0.00 N ATOM 478 CA ARG A 32 -24.410 -22.494 -15.376 1.00 0.00 C ATOM 479 C ARG A 32 -25.326 -21.599 -16.205 1.00 0.00 C ATOM 480 O ARG A 32 -26.417 -22.009 -16.600 1.00 0.00 O ATOM 481 CB ARG A 32 -24.553 -22.153 -13.891 1.00 0.00 C ATOM 482 CG ARG A 32 -25.705 -22.874 -13.210 1.00 0.00 C ATOM 483 CD ARG A 32 -25.832 -22.467 -11.750 1.00 0.00 C ATOM 484 NE ARG A 32 -27.206 -22.579 -11.268 1.00 0.00 N ATOM 485 CZ ARG A 32 -27.530 -22.649 -9.982 1.00 0.00 C ATOM 486 NH1 ARG A 32 -26.584 -22.618 -9.054 1.00 0.00 N1+ ATOM 487 NH2 ARG A 32 -28.803 -22.750 -9.621 1.00 0.00 N ATOM 0 H ARG A 32 -22.437 -21.822 -15.145 1.00 0.00 H new ATOM 0 HA ARG A 32 -24.705 -23.531 -15.534 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -23.624 -22.403 -13.378 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -24.695 -21.077 -13.786 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -26.635 -22.651 -13.733 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -25.552 -23.951 -13.277 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -25.182 -23.095 -11.141 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -25.488 -21.440 -11.629 1.00 0.00 H new ATOM 0 HE ARG A 32 -27.958 -22.605 -11.957 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -25.604 -22.540 -9.327 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -26.836 -22.672 -8.067 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -29.534 -22.774 -10.332 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -29.050 -22.804 -8.633 1.00 0.00 H new ATOM 808 N PRO B 111 -7.787 -13.027 9.750 1.00 0.00 N ATOM 809 CA PRO B 111 -8.045 -13.421 8.361 1.00 0.00 C ATOM 810 C PRO B 111 -9.020 -12.479 7.662 1.00 0.00 C ATOM 811 O PRO B 111 -9.277 -12.612 6.466 1.00 0.00 O ATOM 812 CB PRO B 111 -8.653 -14.819 8.496 1.00 0.00 C ATOM 813 CG PRO B 111 -9.257 -14.839 9.857 1.00 0.00 C ATOM 814 CD PRO B 111 -8.377 -13.971 10.714 1.00 0.00 C ATOM 0 HA PRO B 111 -7.140 -13.392 7.754 1.00 0.00 H new ATOM 0 HB2 PRO B 111 -9.404 -15.000 7.727 1.00 0.00 H new ATOM 0 HB3 PRO B 111 -7.893 -15.593 8.389 1.00 0.00 H new ATOM 0 HG2 PRO B 111 -10.278 -14.459 9.836 1.00 0.00 H new ATOM 0 HG3 PRO B 111 -9.303 -15.855 10.249 1.00 0.00 H new ATOM 0 HD2 PRO B 111 -8.950 -13.454 11.484 1.00 0.00 H new ATOM 0 HD3 PRO B 111 -7.611 -14.555 11.225 1.00 0.00 H new ATOM 822 N VAL B 112 -9.560 -11.528 8.418 1.00 0.00 N ATOM 823 CA VAL B 112 -10.506 -10.563 7.870 1.00 0.00 C ATOM 824 C VAL B 112 -9.971 -9.935 6.588 1.00 0.00 C ATOM 825 O VAL B 112 -10.740 -9.534 5.714 1.00 0.00 O ATOM 826 CB VAL B 112 -10.820 -9.446 8.884 1.00 0.00 C ATOM 827 CG1 VAL B 112 -9.703 -8.413 8.901 1.00 0.00 C ATOM 828 CG2 VAL B 112 -12.155 -8.795 8.563 1.00 0.00 C ATOM 0 H VAL B 112 -9.359 -11.405 9.410 1.00 0.00 H new ATOM 0 HA VAL B 112 -11.422 -11.110 7.648 1.00 0.00 H new ATOM 0 HB VAL B 112 -10.889 -9.889 9.878 1.00 0.00 H new ATOM 0 HG11 VAL B 112 -9.941 -7.631 9.623 1.00 0.00 H new ATOM 0 HG12 VAL B 112 -8.767 -8.894 9.183 1.00 0.00 H new ATOM 0 HG13 VAL B 112 -9.600 -7.972 7.909 1.00 0.00 H new ATOM 0 HG21 VAL B 112 -12.360 -8.009 9.289 1.00 0.00 H new ATOM 0 HG22 VAL B 112 -12.118 -8.364 7.562 1.00 0.00 H new ATOM 0 HG23 VAL B 112 -12.945 -9.545 8.607 1.00 0.00 H new ATOM 838 N TYR B 113 -8.650 -9.854 6.483 1.00 0.00 N ATOM 839 CA TYR B 113 -8.011 -9.274 5.308 1.00 0.00 C ATOM 840 C TYR B 113 -8.227 -10.155 4.080 1.00 0.00 C ATOM 841 O TYR B 113 -8.645 -9.677 3.025 1.00 0.00 O ATOM 842 CB TYR B 113 -6.514 -9.085 5.556 1.00 0.00 C ATOM 843 CG TYR B 113 -6.196 -8.466 6.898 1.00 0.00 C ATOM 844 CD1 TYR B 113 -6.939 -7.397 7.386 1.00 0.00 C ATOM 845 CD2 TYR B 113 -5.155 -8.950 7.681 1.00 0.00 C ATOM 846 CE1 TYR B 113 -6.651 -6.828 8.612 1.00 0.00 C ATOM 847 CE2 TYR B 113 -4.862 -8.389 8.908 1.00 0.00 C ATOM 848 CZ TYR B 113 -5.613 -7.327 9.370 1.00 0.00 C ATOM 849 OH TYR B 113 -5.325 -6.765 10.592 1.00 0.00 O ATOM 0 H TYR B 113 -8.000 -10.183 7.197 1.00 0.00 H new ATOM 0 HA TYR B 113 -8.467 -8.302 5.121 1.00 0.00 H new ATOM 0 HB2 TYR B 113 -6.017 -10.053 5.485 1.00 0.00 H new ATOM 0 HB3 TYR B 113 -6.100 -8.456 4.768 1.00 0.00 H new ATOM 0 HD1 TYR B 113 -7.755 -7.005 6.797 1.00 0.00 H new ATOM 0 HD2 TYR B 113 -4.564 -9.780 7.323 1.00 0.00 H new ATOM 0 HE1 TYR B 113 -7.236 -5.996 8.975 1.00 0.00 H new ATOM 0 HE2 TYR B 113 -4.050 -8.779 9.503 1.00 0.00 H new ATOM 0 HH TYR B 113 -4.566 -7.235 10.997 1.00 0.00 H new ATOM 859 N CYS B 114 -7.938 -11.444 4.227 1.00 0.00 N ATOM 860 CA CYS B 114 -8.101 -12.393 3.133 1.00 0.00 C ATOM 861 C CYS B 114 -9.568 -12.518 2.734 1.00 0.00 C ATOM 862 O CYS B 114 -9.890 -12.718 1.563 1.00 0.00 O ATOM 863 CB CYS B 114 -7.550 -13.763 3.533 1.00 0.00 C ATOM 864 SG CYS B 114 -6.831 -14.708 2.152 1.00 0.00 S ATOM 0 H CYS B 114 -7.590 -11.855 5.093 1.00 0.00 H new ATOM 0 HA CYS B 114 -7.541 -12.020 2.275 1.00 0.00 H new ATOM 0 HB2 CYS B 114 -6.789 -13.626 4.301 1.00 0.00 H new ATOM 0 HB3 CYS B 114 -8.353 -14.349 3.981 1.00 0.00 H new ATOM 869 N SER B 115 -10.455 -12.399 3.717 1.00 0.00 N ATOM 870 CA SER B 115 -11.889 -12.502 3.471 1.00 0.00 C ATOM 871 C SER B 115 -12.392 -11.298 2.681 1.00 0.00 C ATOM 872 O SER B 115 -13.024 -11.448 1.635 1.00 0.00 O ATOM 873 CB SER B 115 -12.648 -12.613 4.794 1.00 0.00 C ATOM 874 OG SER B 115 -12.298 -13.799 5.486 1.00 0.00 O ATOM 0 H SER B 115 -10.206 -12.231 4.692 1.00 0.00 H new ATOM 0 HA SER B 115 -12.068 -13.401 2.882 1.00 0.00 H new ATOM 0 HB2 SER B 115 -12.427 -11.746 5.417 1.00 0.00 H new ATOM 0 HB3 SER B 115 -13.721 -12.603 4.603 1.00 0.00 H new ATOM 0 HG SER B 115 -12.796 -13.845 6.329 1.00 0.00 H new ATOM 880 N ILE B 116 -12.107 -10.104 3.191 1.00 0.00 N ATOM 881 CA ILE B 116 -12.529 -8.873 2.533 1.00 0.00 C ATOM 882 C ILE B 116 -11.936 -8.767 1.132 1.00 0.00 C ATOM 883 O ILE B 116 -12.550 -8.198 0.227 1.00 0.00 O ATOM 884 CB ILE B 116 -12.121 -7.631 3.347 1.00 0.00 C ATOM 885 CG1 ILE B 116 -12.769 -7.668 4.733 1.00 0.00 C ATOM 886 CG2 ILE B 116 -12.512 -6.361 2.607 1.00 0.00 C ATOM 887 CD1 ILE B 116 -12.050 -6.818 5.758 1.00 0.00 C ATOM 0 H ILE B 116 -11.586 -9.963 4.057 1.00 0.00 H new ATOM 0 HA ILE B 116 -13.616 -8.910 2.463 1.00 0.00 H new ATOM 0 HB ILE B 116 -11.038 -7.636 3.472 1.00 0.00 H new ATOM 0 HG12 ILE B 116 -13.802 -7.329 4.652 1.00 0.00 H new ATOM 0 HG13 ILE B 116 -12.799 -8.699 5.084 1.00 0.00 H new ATOM 0 HG21 ILE B 116 -12.217 -5.492 3.195 1.00 0.00 H new ATOM 0 HG22 ILE B 116 -12.008 -6.333 1.641 1.00 0.00 H new ATOM 0 HG23 ILE B 116 -13.591 -6.346 2.454 1.00 0.00 H new ATOM 0 HD11 ILE B 116 -12.564 -6.892 6.717 1.00 0.00 H new ATOM 0 HD12 ILE B 116 -11.024 -7.170 5.868 1.00 0.00 H new ATOM 0 HD13 ILE B 116 -12.043 -5.779 5.429 1.00 0.00 H new ATOM 899 N LEU B 117 -10.740 -9.318 0.959 1.00 0.00 N ATOM 900 CA LEU B 117 -10.064 -9.286 -0.333 1.00 0.00 C ATOM 901 C LEU B 117 -10.829 -10.104 -1.369 1.00 0.00 C ATOM 902 O LEU B 117 -11.337 -9.562 -2.350 1.00 0.00 O ATOM 903 CB LEU B 117 -8.637 -9.822 -0.197 1.00 0.00 C ATOM 904 CG LEU B 117 -7.637 -9.341 -1.249 1.00 0.00 C ATOM 905 CD1 LEU B 117 -6.438 -10.276 -1.312 1.00 0.00 C ATOM 906 CD2 LEU B 117 -8.304 -9.237 -2.612 1.00 0.00 C ATOM 0 H LEU B 117 -10.219 -9.792 1.696 1.00 0.00 H new ATOM 0 HA LEU B 117 -10.027 -8.250 -0.670 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -8.259 -9.547 0.788 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -8.674 -10.911 -0.231 1.00 0.00 H new ATOM 0 HG LEU B 117 -7.286 -8.350 -0.962 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -5.737 -9.918 -2.066 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -5.945 -10.301 -0.340 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -6.773 -11.280 -1.575 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -7.577 -8.893 -3.348 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -8.684 -10.215 -2.907 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -9.130 -8.528 -2.560 1.00 0.00 H new ATOM 918 N ALA B 118 -10.908 -11.411 -1.142 1.00 0.00 N ATOM 919 CA ALA B 118 -11.615 -12.303 -2.053 1.00 0.00 C ATOM 920 C ALA B 118 -13.005 -11.767 -2.377 1.00 0.00 C ATOM 921 O ALA B 118 -13.459 -11.837 -3.519 1.00 0.00 O ATOM 922 CB ALA B 118 -11.711 -13.699 -1.457 1.00 0.00 C ATOM 0 H ALA B 118 -10.491 -11.876 -0.335 1.00 0.00 H new ATOM 0 HA ALA B 118 -11.049 -12.356 -2.983 1.00 0.00 H new ATOM 0 HB1 ALA B 118 -12.241 -14.354 -2.148 1.00 0.00 H new ATOM 0 HB2 ALA B 118 -10.709 -14.090 -1.283 1.00 0.00 H new ATOM 0 HB3 ALA B 118 -12.252 -13.655 -0.512 1.00 0.00 H new ATOM 928 N ALA B 119 -13.679 -11.231 -1.363 1.00 0.00 N ATOM 929 CA ALA B 119 -15.018 -10.682 -1.541 1.00 0.00 C ATOM 930 C ALA B 119 -15.030 -9.602 -2.618 1.00 0.00 C ATOM 931 O ALA B 119 -15.804 -9.674 -3.573 1.00 0.00 O ATOM 932 CB ALA B 119 -15.538 -10.123 -0.226 1.00 0.00 C ATOM 0 H ALA B 119 -13.319 -11.166 -0.411 1.00 0.00 H new ATOM 0 HA ALA B 119 -15.675 -11.489 -1.865 1.00 0.00 H new ATOM 0 HB1 ALA B 119 -16.538 -9.716 -0.374 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -15.576 -10.919 0.518 1.00 0.00 H new ATOM 0 HB3 ALA B 119 -14.873 -9.333 0.122 1.00 0.00 H new ATOM 938 N VAL B 120 -14.168 -8.604 -2.459 1.00 0.00 N ATOM 939 CA VAL B 120 -14.080 -7.509 -3.417 1.00 0.00 C ATOM 940 C VAL B 120 -13.755 -8.027 -4.814 1.00 0.00 C ATOM 941 O VAL B 120 -14.413 -7.668 -5.790 1.00 0.00 O ATOM 942 CB VAL B 120 -13.009 -6.483 -3.001 1.00 0.00 C ATOM 943 CG1 VAL B 120 -13.013 -5.293 -3.948 1.00 0.00 C ATOM 944 CG2 VAL B 120 -13.234 -6.033 -1.566 1.00 0.00 C ATOM 0 H VAL B 120 -13.520 -8.531 -1.675 1.00 0.00 H new ATOM 0 HA VAL B 120 -15.054 -7.021 -3.430 1.00 0.00 H new ATOM 0 HB VAL B 120 -12.031 -6.960 -3.060 1.00 0.00 H new ATOM 0 HG11 VAL B 120 -12.250 -4.579 -3.638 1.00 0.00 H new ATOM 0 HG12 VAL B 120 -12.801 -5.634 -4.961 1.00 0.00 H new ATOM 0 HG13 VAL B 120 -13.991 -4.812 -3.924 1.00 0.00 H new ATOM 0 HG21 VAL B 120 -12.469 -5.308 -1.288 1.00 0.00 H new ATOM 0 HG22 VAL B 120 -14.218 -5.573 -1.479 1.00 0.00 H new ATOM 0 HG23 VAL B 120 -13.176 -6.895 -0.901 1.00 0.00 H new ATOM 954 N VAL B 121 -12.734 -8.875 -4.902 1.00 0.00 N ATOM 955 CA VAL B 121 -12.323 -9.445 -6.179 1.00 0.00 C ATOM 956 C VAL B 121 -13.470 -10.205 -6.838 1.00 0.00 C ATOM 957 O VAL B 121 -13.855 -9.910 -7.970 1.00 0.00 O ATOM 958 CB VAL B 121 -11.124 -10.397 -6.009 1.00 0.00 C ATOM 959 CG1 VAL B 121 -10.748 -11.026 -7.341 1.00 0.00 C ATOM 960 CG2 VAL B 121 -9.939 -9.657 -5.406 1.00 0.00 C ATOM 0 H VAL B 121 -12.177 -9.182 -4.104 1.00 0.00 H new ATOM 0 HA VAL B 121 -12.029 -8.611 -6.817 1.00 0.00 H new ATOM 0 HB VAL B 121 -11.411 -11.196 -5.326 1.00 0.00 H new ATOM 0 HG11 VAL B 121 -9.899 -11.695 -7.201 1.00 0.00 H new ATOM 0 HG12 VAL B 121 -11.596 -11.591 -7.729 1.00 0.00 H new ATOM 0 HG13 VAL B 121 -10.479 -10.243 -8.050 1.00 0.00 H new ATOM 0 HG21 VAL B 121 -9.100 -10.344 -5.293 1.00 0.00 H new ATOM 0 HG22 VAL B 121 -9.650 -8.837 -6.063 1.00 0.00 H new ATOM 0 HG23 VAL B 121 -10.217 -9.259 -4.430 1.00 0.00 H new ATOM 970 N VAL B 122 -14.013 -11.183 -6.121 1.00 0.00 N ATOM 971 CA VAL B 122 -15.116 -11.986 -6.636 1.00 0.00 C ATOM 972 C VAL B 122 -16.220 -11.102 -7.205 1.00 0.00 C ATOM 973 O VAL B 122 -16.549 -11.186 -8.388 1.00 0.00 O ATOM 974 CB VAL B 122 -15.712 -12.888 -5.539 1.00 0.00 C ATOM 975 CG1 VAL B 122 -16.980 -13.566 -6.036 1.00 0.00 C ATOM 976 CG2 VAL B 122 -14.690 -13.919 -5.084 1.00 0.00 C ATOM 0 H VAL B 122 -13.707 -11.439 -5.182 1.00 0.00 H new ATOM 0 HA VAL B 122 -14.709 -12.611 -7.430 1.00 0.00 H new ATOM 0 HB VAL B 122 -15.973 -12.266 -4.683 1.00 0.00 H new ATOM 0 HG11 VAL B 122 -17.387 -14.199 -5.248 1.00 0.00 H new ATOM 0 HG12 VAL B 122 -17.715 -12.808 -6.309 1.00 0.00 H new ATOM 0 HG13 VAL B 122 -16.748 -14.177 -6.908 1.00 0.00 H new ATOM 0 HG21 VAL B 122 -15.128 -14.548 -4.309 1.00 0.00 H new ATOM 0 HG22 VAL B 122 -14.397 -14.539 -5.931 1.00 0.00 H new ATOM 0 HG23 VAL B 122 -13.812 -13.410 -4.686 1.00 0.00 H new ATOM 986 N GLY B 123 -16.788 -10.252 -6.356 1.00 0.00 N ATOM 987 CA GLY B 123 -17.850 -9.364 -6.793 1.00 0.00 C ATOM 988 C GLY B 123 -17.474 -8.578 -8.033 1.00 0.00 C ATOM 989 O GLY B 123 -18.302 -8.370 -8.920 1.00 0.00 O ATOM 0 H GLY B 123 -16.532 -10.162 -5.373 1.00 0.00 H new ATOM 0 HA2 GLY B 123 -18.748 -9.948 -6.995 1.00 0.00 H new ATOM 0 HA3 GLY B 123 -18.095 -8.671 -5.988 1.00 0.00 H new ATOM 993 N LEU B 124 -16.221 -8.138 -8.096 1.00 0.00 N ATOM 994 CA LEU B 124 -15.737 -7.368 -9.236 1.00 0.00 C ATOM 995 C LEU B 124 -15.890 -8.160 -10.531 1.00 0.00 C ATOM 996 O LEU B 124 -16.610 -7.750 -11.441 1.00 0.00 O ATOM 997 CB LEU B 124 -14.272 -6.982 -9.031 1.00 0.00 C ATOM 998 CG LEU B 124 -13.908 -5.532 -9.353 1.00 0.00 C ATOM 999 CD1 LEU B 124 -13.080 -4.927 -8.230 1.00 0.00 C ATOM 1000 CD2 LEU B 124 -13.159 -5.450 -10.674 1.00 0.00 C ATOM 0 H LEU B 124 -15.523 -8.302 -7.371 1.00 0.00 H new ATOM 0 HA LEU B 124 -16.337 -6.461 -9.312 1.00 0.00 H new ATOM 0 HB2 LEU B 124 -14.007 -7.180 -7.992 1.00 0.00 H new ATOM 0 HB3 LEU B 124 -13.655 -7.636 -9.648 1.00 0.00 H new ATOM 0 HG LEU B 124 -14.830 -4.959 -9.446 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -12.831 -3.895 -8.477 1.00 0.00 H new ATOM 0 HD12 LEU B 124 -13.653 -4.950 -7.303 1.00 0.00 H new ATOM 0 HD13 LEU B 124 -12.162 -5.502 -8.104 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -12.908 -4.411 -10.886 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -12.244 -6.038 -10.610 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -13.787 -5.842 -11.474 1.00 0.00 H new