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 2.529 -14.270 1.472 1.00 0.00 N ATOM 156 CA PRO A 11 1.169 -13.891 1.081 1.00 0.00 C ATOM 157 C PRO A 11 0.676 -14.672 -0.132 1.00 0.00 C ATOM 158 O PRO A 11 -0.483 -14.555 -0.530 1.00 0.00 O ATOM 159 CB PRO A 11 1.297 -12.403 0.743 1.00 0.00 C ATOM 160 CG PRO A 11 2.727 -12.224 0.362 1.00 0.00 C ATOM 161 CD PRO A 11 3.505 -13.200 1.202 1.00 0.00 C ATOM 0 HA PRO A 11 0.445 -14.102 1.868 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.631 -12.124 -0.074 1.00 0.00 H new ATOM 0 HB3 PRO A 11 1.033 -11.779 1.597 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.875 -12.419 -0.700 1.00 0.00 H new ATOM 0 HG3 PRO A 11 3.055 -11.201 0.547 1.00 0.00 H new ATOM 0 HD2 PRO A 11 4.380 -13.578 0.673 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.864 -12.741 2.123 1.00 0.00 H new ATOM 169 N VAL A 12 1.563 -15.471 -0.717 1.00 0.00 N ATOM 170 CA VAL A 12 1.218 -16.273 -1.884 1.00 0.00 C ATOM 171 C VAL A 12 -0.064 -17.062 -1.649 1.00 0.00 C ATOM 172 O VAL A 12 -0.796 -17.373 -2.589 1.00 0.00 O ATOM 173 CB VAL A 12 2.351 -17.251 -2.248 1.00 0.00 C ATOM 174 CG1 VAL A 12 2.295 -18.486 -1.362 1.00 0.00 C ATOM 175 CG2 VAL A 12 2.270 -17.636 -3.718 1.00 0.00 C ATOM 0 H VAL A 12 2.527 -15.580 -0.401 1.00 0.00 H new ATOM 0 HA VAL A 12 1.067 -15.579 -2.711 1.00 0.00 H new ATOM 0 HB VAL A 12 3.306 -16.754 -2.078 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.103 -19.166 -1.634 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.405 -18.191 -0.319 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.337 -18.988 -1.498 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.078 -18.327 -3.958 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.311 -18.115 -3.916 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.363 -16.742 -4.334 1.00 0.00 H new ATOM 185 N TYR A 13 -0.332 -17.384 -0.388 1.00 0.00 N ATOM 186 CA TYR A 13 -1.525 -18.141 -0.028 1.00 0.00 C ATOM 187 C TYR A 13 -2.789 -17.349 -0.345 1.00 0.00 C ATOM 188 O TYR A 13 -3.716 -17.860 -0.975 1.00 0.00 O ATOM 189 CB TYR A 13 -1.496 -18.503 1.457 1.00 0.00 C ATOM 190 CG TYR A 13 -0.943 -19.884 1.734 1.00 0.00 C ATOM 191 CD1 TYR A 13 0.194 -20.342 1.079 1.00 0.00 C ATOM 192 CD2 TYR A 13 -1.557 -20.729 2.650 1.00 0.00 C ATOM 193 CE1 TYR A 13 0.701 -21.602 1.327 1.00 0.00 C ATOM 194 CE2 TYR A 13 -1.055 -21.990 2.905 1.00 0.00 C ATOM 195 CZ TYR A 13 0.075 -22.423 2.241 1.00 0.00 C ATOM 196 OH TYR A 13 0.577 -23.678 2.492 1.00 0.00 O ATOM 0 H TYR A 13 0.262 -17.132 0.402 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.534 -19.057 -0.618 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.895 -17.767 1.990 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.508 -18.439 1.858 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.689 -19.702 0.364 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.442 -20.394 3.171 1.00 0.00 H new ATOM 0 HE1 TYR A 13 1.584 -21.943 0.807 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.544 -22.634 3.621 1.00 0.00 H new ATOM 0 HH TYR A 13 0.019 -24.126 3.162 1.00 0.00 H new ATOM 206 N CYS A 14 -2.820 -16.095 0.096 1.00 0.00 N ATOM 207 CA CYS A 14 -3.969 -15.229 -0.141 1.00 0.00 C ATOM 208 C CYS A 14 -4.155 -14.969 -1.633 1.00 0.00 C ATOM 209 O CYS A 14 -5.279 -14.808 -2.110 1.00 0.00 O ATOM 210 CB CYS A 14 -3.795 -13.903 0.602 1.00 0.00 C ATOM 211 SG CYS A 14 -5.363 -13.108 1.080 1.00 0.00 S ATOM 0 H CYS A 14 -2.062 -15.656 0.619 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.858 -15.735 0.235 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -3.200 -14.076 1.498 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.229 -13.217 -0.028 1.00 0.00 H new ATOM 216 N SER A 15 -3.047 -14.929 -2.365 1.00 0.00 N ATOM 217 CA SER A 15 -3.087 -14.683 -3.802 1.00 0.00 C ATOM 218 C SER A 15 -3.582 -15.918 -4.550 1.00 0.00 C ATOM 219 O SER A 15 -4.494 -15.833 -5.372 1.00 0.00 O ATOM 220 CB SER A 15 -1.701 -14.284 -4.311 1.00 0.00 C ATOM 221 OG SER A 15 -1.431 -12.919 -4.043 1.00 0.00 O ATOM 0 H SER A 15 -2.109 -15.064 -1.987 1.00 0.00 H new ATOM 0 HA SER A 15 -3.783 -13.865 -3.987 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.943 -14.907 -3.837 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.638 -14.466 -5.384 1.00 0.00 H new ATOM 0 HG SER A 15 -0.538 -12.690 -4.377 1.00 0.00 H new ATOM 227 N ILE A 16 -2.972 -17.062 -4.259 1.00 0.00 N ATOM 228 CA ILE A 16 -3.351 -18.314 -4.901 1.00 0.00 C ATOM 229 C ILE A 16 -4.769 -18.722 -4.513 1.00 0.00 C ATOM 230 O ILE A 16 -5.523 -19.243 -5.337 1.00 0.00 O ATOM 231 CB ILE A 16 -2.382 -19.452 -4.531 1.00 0.00 C ATOM 232 CG1 ILE A 16 -0.960 -19.106 -4.978 1.00 0.00 C ATOM 233 CG2 ILE A 16 -2.837 -20.760 -5.161 1.00 0.00 C ATOM 234 CD1 ILE A 16 0.108 -19.915 -4.276 1.00 0.00 C ATOM 0 H ILE A 16 -2.213 -17.147 -3.583 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.305 -18.145 -5.977 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.383 -19.573 -3.448 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.877 -19.265 -6.053 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.779 -18.046 -4.798 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.142 -21.555 -4.891 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.834 -21.011 -4.799 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.861 -20.653 -6.245 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.090 -19.617 -4.642 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.052 -19.737 -3.202 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.048 -20.975 -4.477 1.00 0.00 H new ATOM 246 N LEU A 17 -5.125 -18.482 -3.257 1.00 0.00 N ATOM 247 CA LEU A 17 -6.454 -18.822 -2.761 1.00 0.00 C ATOM 248 C LEU A 17 -7.529 -18.017 -3.484 1.00 0.00 C ATOM 249 O LEU A 17 -8.446 -18.582 -4.079 1.00 0.00 O ATOM 250 CB LEU A 17 -6.538 -18.568 -1.254 1.00 0.00 C ATOM 251 CG LEU A 17 -7.859 -18.945 -0.583 1.00 0.00 C ATOM 252 CD1 LEU A 17 -7.683 -20.182 0.284 1.00 0.00 C ATOM 253 CD2 LEU A 17 -8.388 -17.782 0.244 1.00 0.00 C ATOM 0 H LEU A 17 -4.513 -18.053 -2.563 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.627 -19.880 -2.956 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.735 -19.122 -0.767 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.351 -17.510 -1.073 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.588 -19.173 -1.361 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.633 -20.435 0.754 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.350 -21.016 -0.335 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.939 -19.983 1.055 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.329 -18.068 0.714 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.661 -17.523 1.014 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.553 -16.921 -0.403 1.00 0.00 H new ATOM 265 N ALA A 18 -7.407 -16.695 -3.431 1.00 0.00 N ATOM 266 CA ALA A 18 -8.365 -15.813 -4.086 1.00 0.00 C ATOM 267 C ALA A 18 -8.565 -16.207 -5.546 1.00 0.00 C ATOM 268 O ALA A 18 -9.696 -16.311 -6.020 1.00 0.00 O ATOM 269 CB ALA A 18 -7.903 -14.366 -3.987 1.00 0.00 C ATOM 0 H ALA A 18 -6.654 -16.211 -2.941 1.00 0.00 H new ATOM 0 HA ALA A 18 -9.323 -15.914 -3.575 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -8.628 -13.718 -4.480 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.818 -14.082 -2.938 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.933 -14.260 -4.472 1.00 0.00 H new ATOM 275 N ALA A 19 -7.462 -16.423 -6.253 1.00 0.00 N ATOM 276 CA ALA A 19 -7.517 -16.806 -7.657 1.00 0.00 C ATOM 277 C ALA A 19 -8.411 -18.025 -7.860 1.00 0.00 C ATOM 278 O ALA A 19 -9.332 -18.002 -8.678 1.00 0.00 O ATOM 279 CB ALA A 19 -6.117 -17.084 -8.185 1.00 0.00 C ATOM 0 H ALA A 19 -6.518 -16.339 -5.876 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.947 -15.975 -8.217 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.174 -17.369 -9.236 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.506 -16.187 -8.085 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.667 -17.895 -7.613 1.00 0.00 H new ATOM 285 N VAL A 20 -8.135 -19.087 -7.111 1.00 0.00 N ATOM 286 CA VAL A 20 -8.915 -20.314 -7.208 1.00 0.00 C ATOM 287 C VAL A 20 -10.390 -20.051 -6.927 1.00 0.00 C ATOM 288 O VAL A 20 -11.260 -20.433 -7.711 1.00 0.00 O ATOM 289 CB VAL A 20 -8.400 -21.386 -6.228 1.00 0.00 C ATOM 290 CG1 VAL A 20 -9.138 -22.700 -6.437 1.00 0.00 C ATOM 291 CG2 VAL A 20 -6.900 -21.576 -6.389 1.00 0.00 C ATOM 0 H VAL A 20 -7.377 -19.122 -6.430 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.802 -20.681 -8.228 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.594 -21.047 -5.210 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.761 -23.445 -5.736 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.204 -22.549 -6.267 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.979 -23.049 -7.457 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.552 -22.336 -5.690 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.681 -21.893 -7.408 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.390 -20.635 -6.184 1.00 0.00 H new ATOM 301 N VAL A 21 -10.666 -19.396 -5.804 1.00 0.00 N ATOM 302 CA VAL A 21 -12.036 -19.081 -5.420 1.00 0.00 C ATOM 303 C VAL A 21 -12.749 -18.301 -6.518 1.00 0.00 C ATOM 304 O VAL A 21 -13.814 -18.703 -6.988 1.00 0.00 O ATOM 305 CB VAL A 21 -12.078 -18.264 -4.114 1.00 0.00 C ATOM 306 CG1 VAL A 21 -13.516 -17.946 -3.729 1.00 0.00 C ATOM 307 CG2 VAL A 21 -11.371 -19.012 -2.995 1.00 0.00 C ATOM 0 H VAL A 21 -9.958 -19.073 -5.144 1.00 0.00 H new ATOM 0 HA VAL A 21 -12.548 -20.031 -5.263 1.00 0.00 H new ATOM 0 HB VAL A 21 -11.554 -17.322 -4.278 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -13.526 -17.369 -2.804 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -13.986 -17.366 -4.524 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -14.067 -18.875 -3.583 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -11.410 -18.420 -2.080 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -11.864 -19.970 -2.829 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.331 -19.183 -3.272 1.00 0.00 H new ATOM 317 N VAL A 22 -12.156 -17.182 -6.923 1.00 0.00 N ATOM 318 CA VAL A 22 -12.734 -16.346 -7.968 1.00 0.00 C ATOM 319 C VAL A 22 -13.093 -17.172 -9.198 1.00 0.00 C ATOM 320 O VAL A 22 -14.254 -17.239 -9.598 1.00 0.00 O ATOM 321 CB VAL A 22 -11.770 -15.219 -8.383 1.00 0.00 C ATOM 322 CG1 VAL A 22 -12.357 -14.407 -9.527 1.00 0.00 C ATOM 323 CG2 VAL A 22 -11.450 -14.327 -7.193 1.00 0.00 C ATOM 0 H VAL A 22 -11.276 -16.834 -6.543 1.00 0.00 H new ATOM 0 HA VAL A 22 -13.640 -15.904 -7.554 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.840 -15.670 -8.730 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.661 -13.616 -9.806 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.529 -15.058 -10.384 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -13.302 -13.965 -9.212 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.768 -13.536 -7.504 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -12.370 -13.884 -6.813 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -10.982 -14.921 -6.408 1.00 0.00 H new ATOM 333 N GLY A 23 -12.085 -17.801 -9.796 1.00 0.00 N ATOM 334 CA GLY A 23 -12.314 -18.617 -10.974 1.00 0.00 C ATOM 335 C GLY A 23 -13.418 -19.636 -10.769 1.00 0.00 C ATOM 336 O GLY A 23 -14.224 -19.879 -11.668 1.00 0.00 O ATOM 0 H GLY A 23 -11.114 -17.760 -9.485 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.571 -17.972 -11.814 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.392 -19.134 -11.239 1.00 0.00 H new ATOM 340 N LEU A 24 -13.454 -20.235 -9.583 1.00 0.00 N ATOM 341 CA LEU A 24 -14.468 -21.234 -9.262 1.00 0.00 C ATOM 342 C LEU A 24 -15.871 -20.666 -9.447 1.00 0.00 C ATOM 343 O LEU A 24 -16.675 -21.204 -10.208 1.00 0.00 O ATOM 344 CB LEU A 24 -14.289 -21.726 -7.826 1.00 0.00 C ATOM 345 CG LEU A 24 -14.365 -23.240 -7.620 1.00 0.00 C ATOM 346 CD1 LEU A 24 -13.168 -23.731 -6.821 1.00 0.00 C ATOM 347 CD2 LEU A 24 -15.665 -23.619 -6.925 1.00 0.00 C ATOM 0 H LEU A 24 -12.794 -20.047 -8.829 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.345 -22.074 -9.945 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -13.322 -21.378 -7.462 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -15.051 -21.256 -7.205 1.00 0.00 H new ATOM 0 HG LEU A 24 -14.345 -23.722 -8.597 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -13.239 -24.810 -6.685 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -12.250 -23.493 -7.358 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -13.156 -23.242 -5.847 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -15.702 -24.700 -6.787 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -15.715 -23.127 -5.954 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -16.510 -23.302 -7.536 1.00 0.00 H new ATOM 359 N VAL A 25 -16.158 -19.573 -8.746 1.00 0.00 N ATOM 360 CA VAL A 25 -17.462 -18.928 -8.836 1.00 0.00 C ATOM 361 C VAL A 25 -17.777 -18.522 -10.272 1.00 0.00 C ATOM 362 O VAL A 25 -18.935 -18.523 -10.688 1.00 0.00 O ATOM 363 CB VAL A 25 -17.536 -17.683 -7.934 1.00 0.00 C ATOM 364 CG1 VAL A 25 -18.903 -17.024 -8.042 1.00 0.00 C ATOM 365 CG2 VAL A 25 -17.227 -18.052 -6.491 1.00 0.00 C ATOM 0 H VAL A 25 -15.505 -19.116 -8.110 1.00 0.00 H new ATOM 0 HA VAL A 25 -18.199 -19.656 -8.498 1.00 0.00 H new ATOM 0 HB VAL A 25 -16.787 -16.967 -8.272 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -18.936 -16.146 -7.397 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -19.081 -16.723 -9.074 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -19.673 -17.730 -7.732 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -17.284 -17.160 -5.867 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -17.952 -18.787 -6.140 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -16.224 -18.474 -6.430 1.00 0.00 H new ATOM 375 N ALA A 26 -16.737 -18.174 -11.024 1.00 0.00 N ATOM 376 CA ALA A 26 -16.902 -17.765 -12.412 1.00 0.00 C ATOM 377 C ALA A 26 -17.158 -18.971 -13.312 1.00 0.00 C ATOM 378 O ALA A 26 -17.791 -18.851 -14.362 1.00 0.00 O ATOM 379 CB ALA A 26 -15.675 -17.002 -12.888 1.00 0.00 C ATOM 0 H ALA A 26 -15.772 -18.168 -10.694 1.00 0.00 H new ATOM 0 HA ALA A 26 -17.770 -17.108 -12.470 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -15.813 -16.703 -13.927 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -15.536 -16.115 -12.270 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -14.796 -17.641 -12.808 1.00 0.00 H new ATOM 385 N TYR A 27 -16.664 -20.131 -12.895 1.00 0.00 N ATOM 386 CA TYR A 27 -16.838 -21.356 -13.664 1.00 0.00 C ATOM 387 C TYR A 27 -18.267 -21.877 -13.542 1.00 0.00 C ATOM 388 O TYR A 27 -18.890 -22.251 -14.537 1.00 0.00 O ATOM 389 CB TYR A 27 -15.853 -22.426 -13.188 1.00 0.00 C ATOM 390 CG TYR A 27 -16.082 -23.782 -13.815 1.00 0.00 C ATOM 391 CD1 TYR A 27 -16.117 -23.935 -15.196 1.00 0.00 C ATOM 392 CD2 TYR A 27 -16.262 -24.912 -13.027 1.00 0.00 C ATOM 393 CE1 TYR A 27 -16.327 -25.172 -15.773 1.00 0.00 C ATOM 394 CE2 TYR A 27 -16.471 -26.154 -13.596 1.00 0.00 C ATOM 395 CZ TYR A 27 -16.503 -26.279 -14.968 1.00 0.00 C ATOM 396 OH TYR A 27 -16.712 -27.513 -15.540 1.00 0.00 O ATOM 0 H TYR A 27 -16.140 -20.248 -12.028 1.00 0.00 H new ATOM 0 HA TYR A 27 -16.640 -21.128 -14.711 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -14.838 -22.098 -13.412 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -15.926 -22.519 -12.104 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -15.977 -23.071 -15.829 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -16.238 -24.818 -11.951 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -16.353 -25.272 -16.848 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -16.609 -27.022 -12.969 1.00 0.00 H new ATOM 0 HH TYR A 27 -16.816 -28.187 -14.836 1.00 0.00 H new ATOM 406 N ILE A 28 -18.781 -21.897 -12.317 1.00 0.00 N ATOM 407 CA ILE A 28 -20.137 -22.370 -12.065 1.00 0.00 C ATOM 408 C ILE A 28 -21.171 -21.360 -12.551 1.00 0.00 C ATOM 409 O ILE A 28 -22.142 -21.721 -13.214 1.00 0.00 O ATOM 410 CB ILE A 28 -20.367 -22.643 -10.567 1.00 0.00 C ATOM 411 CG1 ILE A 28 -19.367 -23.682 -10.056 1.00 0.00 C ATOM 412 CG2 ILE A 28 -21.795 -23.113 -10.329 1.00 0.00 C ATOM 413 CD1 ILE A 28 -18.676 -23.275 -8.775 1.00 0.00 C ATOM 0 H ILE A 28 -18.279 -21.591 -11.483 1.00 0.00 H new ATOM 0 HA ILE A 28 -20.255 -23.301 -12.619 1.00 0.00 H new ATOM 0 HB ILE A 28 -20.212 -21.716 -10.015 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -19.887 -24.626 -9.895 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -18.615 -23.859 -10.825 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -21.943 -23.302 -9.266 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -22.492 -22.343 -10.661 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -21.974 -24.031 -10.889 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -17.982 -24.058 -8.471 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -18.128 -22.347 -8.936 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -19.420 -23.126 -7.992 1.00 0.00 H new ATOM 425 N ALA A 29 -20.953 -20.091 -12.219 1.00 0.00 N ATOM 426 CA ALA A 29 -21.862 -19.027 -12.625 1.00 0.00 C ATOM 427 C ALA A 29 -21.974 -18.950 -14.143 1.00 0.00 C ATOM 428 O ALA A 29 -23.055 -19.125 -14.707 1.00 0.00 O ATOM 429 CB ALA A 29 -21.401 -17.693 -12.058 1.00 0.00 C ATOM 0 H ALA A 29 -20.154 -19.775 -11.669 1.00 0.00 H new ATOM 0 HA ALA A 29 -22.850 -19.256 -12.226 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -22.090 -16.908 -12.370 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -21.381 -17.748 -10.970 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -20.401 -17.466 -12.428 1.00 0.00 H new ATOM 435 N PHE A 30 -20.850 -18.686 -14.802 1.00 0.00 N ATOM 436 CA PHE A 30 -20.822 -18.584 -16.256 1.00 0.00 C ATOM 437 C PHE A 30 -21.453 -19.814 -16.900 1.00 0.00 C ATOM 438 O PHE A 30 -22.344 -19.701 -17.742 1.00 0.00 O ATOM 439 CB PHE A 30 -19.383 -18.417 -16.749 1.00 0.00 C ATOM 440 CG PHE A 30 -19.265 -18.360 -18.246 1.00 0.00 C ATOM 441 CD1 PHE A 30 -20.118 -17.562 -18.991 1.00 0.00 C ATOM 442 CD2 PHE A 30 -18.301 -19.104 -18.906 1.00 0.00 C ATOM 443 CE1 PHE A 30 -20.011 -17.507 -20.368 1.00 0.00 C ATOM 444 CE2 PHE A 30 -18.190 -19.053 -20.283 1.00 0.00 C ATOM 445 CZ PHE A 30 -19.047 -18.254 -21.015 1.00 0.00 C ATOM 0 H PHE A 30 -19.947 -18.539 -14.352 1.00 0.00 H new ATOM 0 HA PHE A 30 -21.402 -17.707 -16.545 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -18.966 -17.504 -16.325 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -18.781 -19.246 -16.376 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -20.875 -16.976 -18.490 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -17.629 -19.731 -18.339 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -20.681 -16.880 -20.937 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -17.434 -19.637 -20.786 1.00 0.00 H new ATOM 0 HZ PHE A 30 -18.963 -18.214 -22.091 1.00 0.00 H new ATOM 455 N LYS A 31 -20.984 -20.991 -16.498 1.00 0.00 N ATOM 456 CA LYS A 31 -21.501 -22.245 -17.033 1.00 0.00 C ATOM 457 C LYS A 31 -23.018 -22.313 -16.890 1.00 0.00 C ATOM 458 O LYS A 31 -23.711 -22.827 -17.768 1.00 0.00 O ATOM 459 CB LYS A 31 -20.857 -23.433 -16.316 1.00 0.00 C ATOM 460 CG LYS A 31 -21.474 -24.772 -16.683 1.00 0.00 C ATOM 461 CD LYS A 31 -20.753 -25.924 -16.003 1.00 0.00 C ATOM 462 CE LYS A 31 -21.717 -26.800 -15.219 1.00 0.00 C ATOM 463 NZ LYS A 31 -21.852 -26.350 -13.806 1.00 0.00 N1+ ATOM 0 H LYS A 31 -20.246 -21.102 -15.803 1.00 0.00 H new ATOM 0 HA LYS A 31 -21.251 -22.289 -18.093 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -19.793 -23.456 -16.552 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -20.942 -23.286 -15.239 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -22.526 -24.780 -16.396 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -21.438 -24.906 -17.764 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -20.240 -26.526 -16.753 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -19.989 -25.531 -15.332 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -22.695 -26.784 -15.700 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -21.368 -27.832 -15.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -22.518 -26.973 -13.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -20.924 -26.389 -13.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -22.209 -25.374 -13.785 1.00 0.00 H new ATOM 477 N ARG A 32 -23.527 -21.790 -15.780 1.00 0.00 N ATOM 478 CA ARG A 32 -24.962 -21.792 -15.522 1.00 0.00 C ATOM 479 C ARG A 32 -25.717 -21.084 -16.644 1.00 0.00 C ATOM 480 O ARG A 32 -26.891 -21.362 -16.887 1.00 0.00 O ATOM 481 CB ARG A 32 -25.263 -21.115 -14.184 1.00 0.00 C ATOM 482 CG ARG A 32 -26.595 -21.525 -13.579 1.00 0.00 C ATOM 483 CD ARG A 32 -27.209 -20.396 -12.765 1.00 0.00 C ATOM 484 NE ARG A 32 -26.355 -19.999 -11.649 1.00 0.00 N ATOM 485 CZ ARG A 32 -26.622 -18.973 -10.849 1.00 0.00 C ATOM 486 NH1 ARG A 32 -27.715 -18.245 -11.040 1.00 0.00 N1+ ATOM 487 NH2 ARG A 32 -25.797 -18.673 -9.854 1.00 0.00 N ATOM 0 H ARG A 32 -22.967 -21.359 -15.044 1.00 0.00 H new ATOM 0 HA ARG A 32 -25.296 -22.829 -15.480 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -24.466 -21.352 -13.479 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -25.255 -20.034 -14.324 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -27.282 -21.817 -14.373 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -26.453 -22.398 -12.942 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -27.383 -19.536 -13.412 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -28.181 -20.711 -12.384 1.00 0.00 H new ATOM 0 HE ARG A 32 -25.507 -20.539 -11.474 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -28.353 -18.473 -11.803 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -27.917 -17.458 -10.424 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -24.956 -19.231 -9.703 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -26.003 -17.885 -9.240 1.00 0.00 H new ATOM 808 N PRO B 111 -7.244 -12.646 9.859 1.00 0.00 N ATOM 809 CA PRO B 111 -7.424 -13.168 8.501 1.00 0.00 C ATOM 810 C PRO B 111 -8.610 -12.530 7.786 1.00 0.00 C ATOM 811 O PRO B 111 -8.840 -12.777 6.602 1.00 0.00 O ATOM 812 CB PRO B 111 -7.675 -14.662 8.726 1.00 0.00 C ATOM 813 CG PRO B 111 -8.231 -14.749 10.105 1.00 0.00 C ATOM 814 CD PRO B 111 -7.571 -13.647 10.887 1.00 0.00 C ATOM 0 HA PRO B 111 -6.564 -12.957 7.866 1.00 0.00 H new ATOM 0 HB2 PRO B 111 -8.374 -15.061 7.991 1.00 0.00 H new ATOM 0 HB3 PRO B 111 -6.753 -15.237 8.634 1.00 0.00 H new ATOM 0 HG2 PRO B 111 -9.314 -14.628 10.098 1.00 0.00 H new ATOM 0 HG3 PRO B 111 -8.022 -15.722 10.549 1.00 0.00 H new ATOM 0 HD2 PRO B 111 -8.237 -13.239 11.647 1.00 0.00 H new ATOM 0 HD3 PRO B 111 -6.678 -14.000 11.403 1.00 0.00 H new ATOM 822 N VAL B 112 -9.360 -11.708 8.512 1.00 0.00 N ATOM 823 CA VAL B 112 -10.521 -11.032 7.947 1.00 0.00 C ATOM 824 C VAL B 112 -10.169 -10.338 6.636 1.00 0.00 C ATOM 825 O VAL B 112 -11.022 -10.166 5.764 1.00 0.00 O ATOM 826 CB VAL B 112 -11.098 -9.993 8.926 1.00 0.00 C ATOM 827 CG1 VAL B 112 -10.298 -8.702 8.869 1.00 0.00 C ATOM 828 CG2 VAL B 112 -12.566 -9.734 8.623 1.00 0.00 C ATOM 0 H VAL B 112 -9.184 -11.494 9.494 1.00 0.00 H new ATOM 0 HA VAL B 112 -11.272 -11.799 7.759 1.00 0.00 H new ATOM 0 HB VAL B 112 -11.024 -10.393 9.937 1.00 0.00 H new ATOM 0 HG11 VAL B 112 -10.721 -7.980 9.568 1.00 0.00 H new ATOM 0 HG12 VAL B 112 -9.262 -8.904 9.139 1.00 0.00 H new ATOM 0 HG13 VAL B 112 -10.337 -8.294 7.859 1.00 0.00 H new ATOM 0 HG21 VAL B 112 -12.958 -8.997 9.324 1.00 0.00 H new ATOM 0 HG22 VAL B 112 -12.666 -9.356 7.606 1.00 0.00 H new ATOM 0 HG23 VAL B 112 -13.127 -10.663 8.722 1.00 0.00 H new ATOM 838 N TYR B 113 -8.909 -9.940 6.504 1.00 0.00 N ATOM 839 CA TYR B 113 -8.444 -9.264 5.299 1.00 0.00 C ATOM 840 C TYR B 113 -8.534 -10.186 4.087 1.00 0.00 C ATOM 841 O TYR B 113 -9.066 -9.808 3.042 1.00 0.00 O ATOM 842 CB TYR B 113 -7.002 -8.785 5.483 1.00 0.00 C ATOM 843 CG TYR B 113 -6.896 -7.344 5.931 1.00 0.00 C ATOM 844 CD1 TYR B 113 -7.728 -6.843 6.925 1.00 0.00 C ATOM 845 CD2 TYR B 113 -5.966 -6.485 5.361 1.00 0.00 C ATOM 846 CE1 TYR B 113 -7.634 -5.528 7.338 1.00 0.00 C ATOM 847 CE2 TYR B 113 -5.865 -5.170 5.768 1.00 0.00 C ATOM 848 CZ TYR B 113 -6.701 -4.695 6.757 1.00 0.00 C ATOM 849 OH TYR B 113 -6.604 -3.384 7.164 1.00 0.00 O ATOM 0 H TYR B 113 -8.191 -10.074 7.216 1.00 0.00 H new ATOM 0 HA TYR B 113 -9.088 -8.402 5.125 1.00 0.00 H new ATOM 0 HB2 TYR B 113 -6.507 -9.422 6.216 1.00 0.00 H new ATOM 0 HB3 TYR B 113 -6.465 -8.905 4.542 1.00 0.00 H new ATOM 0 HD1 TYR B 113 -8.460 -7.492 7.382 1.00 0.00 H new ATOM 0 HD2 TYR B 113 -5.310 -6.852 4.586 1.00 0.00 H new ATOM 0 HE1 TYR B 113 -8.288 -5.154 8.112 1.00 0.00 H new ATOM 0 HE2 TYR B 113 -5.135 -4.516 5.314 1.00 0.00 H new ATOM 0 HH TYR B 113 -5.897 -2.935 6.655 1.00 0.00 H new ATOM 859 N CYS B 114 -8.010 -11.398 4.234 1.00 0.00 N ATOM 860 CA CYS B 114 -8.031 -12.377 3.153 1.00 0.00 C ATOM 861 C CYS B 114 -9.463 -12.769 2.802 1.00 0.00 C ATOM 862 O CYS B 114 -9.773 -13.064 1.648 1.00 0.00 O ATOM 863 CB CYS B 114 -7.233 -13.621 3.548 1.00 0.00 C ATOM 864 SG CYS B 114 -6.467 -14.489 2.142 1.00 0.00 S ATOM 0 H CYS B 114 -7.565 -11.726 5.091 1.00 0.00 H new ATOM 0 HA CYS B 114 -7.572 -11.922 2.275 1.00 0.00 H new ATOM 0 HB2 CYS B 114 -6.452 -13.331 4.251 1.00 0.00 H new ATOM 0 HB3 CYS B 114 -7.893 -14.312 4.072 1.00 0.00 H new ATOM 869 N SER B 115 -10.335 -12.770 3.807 1.00 0.00 N ATOM 870 CA SER B 115 -11.734 -13.129 3.606 1.00 0.00 C ATOM 871 C SER B 115 -12.487 -12.004 2.902 1.00 0.00 C ATOM 872 O SER B 115 -13.169 -12.230 1.902 1.00 0.00 O ATOM 873 CB SER B 115 -12.399 -13.443 4.947 1.00 0.00 C ATOM 874 OG SER B 115 -12.080 -14.755 5.380 1.00 0.00 O ATOM 0 H SER B 115 -10.096 -12.526 4.768 1.00 0.00 H new ATOM 0 HA SER B 115 -11.769 -14.017 2.975 1.00 0.00 H new ATOM 0 HB2 SER B 115 -12.074 -12.721 5.696 1.00 0.00 H new ATOM 0 HB3 SER B 115 -13.480 -13.340 4.853 1.00 0.00 H new ATOM 0 HG SER B 115 -12.516 -14.931 6.240 1.00 0.00 H new ATOM 880 N ILE B 116 -12.359 -10.792 3.432 1.00 0.00 N ATOM 881 CA ILE B 116 -13.026 -9.633 2.856 1.00 0.00 C ATOM 882 C ILE B 116 -12.483 -9.321 1.465 1.00 0.00 C ATOM 883 O ILE B 116 -13.232 -8.929 0.568 1.00 0.00 O ATOM 884 CB ILE B 116 -12.863 -8.388 3.748 1.00 0.00 C ATOM 885 CG1 ILE B 116 -13.468 -8.642 5.131 1.00 0.00 C ATOM 886 CG2 ILE B 116 -13.513 -7.178 3.093 1.00 0.00 C ATOM 887 CD1 ILE B 116 -12.961 -7.695 6.196 1.00 0.00 C ATOM 0 H ILE B 116 -11.799 -10.588 4.260 1.00 0.00 H new ATOM 0 HA ILE B 116 -14.085 -9.883 2.784 1.00 0.00 H new ATOM 0 HB ILE B 116 -11.799 -8.183 3.870 1.00 0.00 H new ATOM 0 HG12 ILE B 116 -14.553 -8.555 5.066 1.00 0.00 H new ATOM 0 HG13 ILE B 116 -13.248 -9.666 5.432 1.00 0.00 H new ATOM 0 HG21 ILE B 116 -13.389 -6.306 3.736 1.00 0.00 H new ATOM 0 HG22 ILE B 116 -13.041 -6.988 2.129 1.00 0.00 H new ATOM 0 HG23 ILE B 116 -14.575 -7.372 2.944 1.00 0.00 H new ATOM 0 HD11 ILE B 116 -13.432 -7.934 7.149 1.00 0.00 H new ATOM 0 HD12 ILE B 116 -11.880 -7.798 6.290 1.00 0.00 H new ATOM 0 HD13 ILE B 116 -13.205 -6.670 5.917 1.00 0.00 H new ATOM 899 N LEU B 117 -11.179 -9.500 1.291 1.00 0.00 N ATOM 900 CA LEU B 117 -10.534 -9.239 0.008 1.00 0.00 C ATOM 901 C LEU B 117 -11.058 -10.187 -1.066 1.00 0.00 C ATOM 902 O LEU B 117 -11.556 -9.752 -2.104 1.00 0.00 O ATOM 903 CB LEU B 117 -9.017 -9.384 0.138 1.00 0.00 C ATOM 904 CG LEU B 117 -8.204 -9.068 -1.117 1.00 0.00 C ATOM 905 CD1 LEU B 117 -7.476 -7.742 -0.960 1.00 0.00 C ATOM 906 CD2 LEU B 117 -7.217 -10.188 -1.410 1.00 0.00 C ATOM 0 H LEU B 117 -10.546 -9.825 2.022 1.00 0.00 H new ATOM 0 HA LEU B 117 -10.770 -8.217 -0.289 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -8.677 -8.730 0.941 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -8.794 -10.406 0.443 1.00 0.00 H new ATOM 0 HG LEU B 117 -8.890 -8.986 -1.960 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -6.902 -7.533 -1.863 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -8.202 -6.945 -0.799 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -6.801 -7.796 -0.106 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -6.647 -9.945 -2.307 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -6.536 -10.302 -0.567 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -7.760 -11.120 -1.566 1.00 0.00 H new ATOM 918 N ALA B 118 -10.943 -11.486 -0.808 1.00 0.00 N ATOM 919 CA ALA B 118 -11.408 -12.496 -1.750 1.00 0.00 C ATOM 920 C ALA B 118 -12.849 -12.230 -2.174 1.00 0.00 C ATOM 921 O ALA B 118 -13.173 -12.263 -3.361 1.00 0.00 O ATOM 922 CB ALA B 118 -11.284 -13.885 -1.140 1.00 0.00 C ATOM 0 H ALA B 118 -10.532 -11.863 0.046 1.00 0.00 H new ATOM 0 HA ALA B 118 -10.779 -12.444 -2.639 1.00 0.00 H new ATOM 0 HB1 ALA B 118 -11.635 -14.629 -1.855 1.00 0.00 H new ATOM 0 HB2 ALA B 118 -10.241 -14.082 -0.894 1.00 0.00 H new ATOM 0 HB3 ALA B 118 -11.887 -13.940 -0.234 1.00 0.00 H new ATOM 928 N ALA B 119 -13.709 -11.966 -1.196 1.00 0.00 N ATOM 929 CA ALA B 119 -15.114 -11.693 -1.469 1.00 0.00 C ATOM 930 C ALA B 119 -15.268 -10.577 -2.498 1.00 0.00 C ATOM 931 O ALA B 119 -15.946 -10.742 -3.511 1.00 0.00 O ATOM 932 CB ALA B 119 -15.841 -11.329 -0.183 1.00 0.00 C ATOM 0 H ALA B 119 -13.457 -11.935 -0.208 1.00 0.00 H new ATOM 0 HA ALA B 119 -15.559 -12.598 -1.883 1.00 0.00 H new ATOM 0 HB1 ALA B 119 -16.890 -11.128 -0.402 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -15.770 -12.157 0.522 1.00 0.00 H new ATOM 0 HB3 ALA B 119 -15.385 -10.441 0.254 1.00 0.00 H new ATOM 938 N VAL B 120 -14.633 -9.440 -2.229 1.00 0.00 N ATOM 939 CA VAL B 120 -14.698 -8.297 -3.132 1.00 0.00 C ATOM 940 C VAL B 120 -14.226 -8.673 -4.532 1.00 0.00 C ATOM 941 O VAL B 120 -14.910 -8.411 -5.521 1.00 0.00 O ATOM 942 CB VAL B 120 -13.847 -7.122 -2.613 1.00 0.00 C ATOM 943 CG1 VAL B 120 -14.040 -5.894 -3.490 1.00 0.00 C ATOM 944 CG2 VAL B 120 -14.194 -6.812 -1.164 1.00 0.00 C ATOM 0 H VAL B 120 -14.068 -9.286 -1.394 1.00 0.00 H new ATOM 0 HA VAL B 120 -15.742 -7.988 -3.176 1.00 0.00 H new ATOM 0 HB VAL B 120 -12.797 -7.410 -2.658 1.00 0.00 H new ATOM 0 HG11 VAL B 120 -13.431 -5.075 -3.108 1.00 0.00 H new ATOM 0 HG12 VAL B 120 -13.738 -6.125 -4.511 1.00 0.00 H new ATOM 0 HG13 VAL B 120 -15.090 -5.601 -3.480 1.00 0.00 H new ATOM 0 HG21 VAL B 120 -13.584 -5.980 -0.814 1.00 0.00 H new ATOM 0 HG22 VAL B 120 -15.248 -6.545 -1.092 1.00 0.00 H new ATOM 0 HG23 VAL B 120 -13.999 -7.689 -0.547 1.00 0.00 H new ATOM 954 N VAL B 121 -13.051 -9.291 -4.607 1.00 0.00 N ATOM 955 CA VAL B 121 -12.487 -9.706 -5.886 1.00 0.00 C ATOM 956 C VAL B 121 -13.446 -10.623 -6.637 1.00 0.00 C ATOM 957 O VAL B 121 -13.781 -10.372 -7.794 1.00 0.00 O ATOM 958 CB VAL B 121 -11.142 -10.433 -5.695 1.00 0.00 C ATOM 959 CG1 VAL B 121 -10.569 -10.855 -7.040 1.00 0.00 C ATOM 960 CG2 VAL B 121 -10.160 -9.548 -4.943 1.00 0.00 C ATOM 0 H VAL B 121 -12.472 -9.515 -3.798 1.00 0.00 H new ATOM 0 HA VAL B 121 -12.323 -8.800 -6.470 1.00 0.00 H new ATOM 0 HB VAL B 121 -11.315 -11.331 -5.101 1.00 0.00 H new ATOM 0 HG11 VAL B 121 -9.619 -11.367 -6.886 1.00 0.00 H new ATOM 0 HG12 VAL B 121 -11.267 -11.528 -7.538 1.00 0.00 H new ATOM 0 HG13 VAL B 121 -10.410 -9.973 -7.660 1.00 0.00 H new ATOM 0 HG21 VAL B 121 -9.216 -10.078 -4.817 1.00 0.00 H new ATOM 0 HG22 VAL B 121 -9.990 -8.632 -5.508 1.00 0.00 H new ATOM 0 HG23 VAL B 121 -10.570 -9.300 -3.964 1.00 0.00 H new ATOM 970 N VAL B 122 -13.884 -11.686 -5.971 1.00 0.00 N ATOM 971 CA VAL B 122 -14.805 -12.642 -6.575 1.00 0.00 C ATOM 972 C VAL B 122 -16.011 -11.934 -7.181 1.00 0.00 C ATOM 973 O VAL B 122 -16.228 -11.979 -8.392 1.00 0.00 O ATOM 974 CB VAL B 122 -15.294 -13.678 -5.547 1.00 0.00 C ATOM 975 CG1 VAL B 122 -16.319 -14.610 -6.174 1.00 0.00 C ATOM 976 CG2 VAL B 122 -14.120 -14.465 -4.984 1.00 0.00 C ATOM 0 H VAL B 122 -13.616 -11.907 -5.012 1.00 0.00 H new ATOM 0 HA VAL B 122 -14.255 -13.157 -7.363 1.00 0.00 H new ATOM 0 HB VAL B 122 -15.775 -13.149 -4.725 1.00 0.00 H new ATOM 0 HG11 VAL B 122 -16.653 -15.335 -5.432 1.00 0.00 H new ATOM 0 HG12 VAL B 122 -17.173 -14.029 -6.524 1.00 0.00 H new ATOM 0 HG13 VAL B 122 -15.867 -15.134 -7.016 1.00 0.00 H new ATOM 0 HG21 VAL B 122 -14.484 -15.193 -4.259 1.00 0.00 H new ATOM 0 HG22 VAL B 122 -13.608 -14.985 -5.794 1.00 0.00 H new ATOM 0 HG23 VAL B 122 -13.425 -13.782 -4.495 1.00 0.00 H new ATOM 986 N GLY B 123 -16.796 -11.279 -6.331 1.00 0.00 N ATOM 987 CA GLY B 123 -17.972 -10.571 -6.800 1.00 0.00 C ATOM 988 C GLY B 123 -17.646 -9.558 -7.880 1.00 0.00 C ATOM 989 O GLY B 123 -18.365 -9.448 -8.875 1.00 0.00 O ATOM 0 H GLY B 123 -16.638 -11.226 -5.325 1.00 0.00 H new ATOM 0 HA2 GLY B 123 -18.695 -11.289 -7.186 1.00 0.00 H new ATOM 0 HA3 GLY B 123 -18.445 -10.063 -5.960 1.00 0.00 H new ATOM 993 N LEU B 124 -16.562 -8.816 -7.685 1.00 0.00 N ATOM 994 CA LEU B 124 -16.144 -7.806 -8.651 1.00 0.00 C ATOM 995 C LEU B 124 -15.955 -8.420 -10.033 1.00 0.00 C ATOM 996 O LEU B 124 -16.594 -8.005 -11.001 1.00 0.00 O ATOM 997 CB LEU B 124 -14.844 -7.141 -8.192 1.00 0.00 C ATOM 998 CG LEU B 124 -14.383 -5.933 -9.008 1.00 0.00 C ATOM 999 CD1 LEU B 124 -14.508 -4.658 -8.188 1.00 0.00 C ATOM 1000 CD2 LEU B 124 -12.951 -6.126 -9.484 1.00 0.00 C ATOM 0 H LEU B 124 -15.957 -8.894 -6.868 1.00 0.00 H new ATOM 0 HA LEU B 124 -16.928 -7.052 -8.714 1.00 0.00 H new ATOM 0 HB2 LEU B 124 -14.966 -6.828 -7.155 1.00 0.00 H new ATOM 0 HB3 LEU B 124 -14.051 -7.889 -8.208 1.00 0.00 H new ATOM 0 HG LEU B 124 -15.026 -5.842 -9.884 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -14.176 -3.808 -8.784 1.00 0.00 H new ATOM 0 HD12 LEU B 124 -15.548 -4.513 -7.897 1.00 0.00 H new ATOM 0 HD13 LEU B 124 -13.890 -4.738 -7.294 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -12.640 -5.257 -10.063 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -12.294 -6.242 -8.622 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -12.892 -7.018 -10.108 1.00 0.00 H new