USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 386 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 45:sc= 1 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 48:sc= 0.617 USER MOD Single : B 127 TYR OH : rot 180:sc= 0 USER MOD Single : B 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 136 N ILE A 10 11.407 8.448 -6.193 1.00 0.00 N ATOM 137 CA ILE A 10 12.332 9.538 -6.479 1.00 0.00 C ATOM 138 C ILE A 10 12.312 9.902 -7.960 1.00 0.00 C ATOM 139 O ILE A 10 12.035 11.040 -8.341 1.00 0.00 O ATOM 140 CB ILE A 10 13.772 9.175 -6.071 1.00 0.00 C ATOM 141 CG1 ILE A 10 14.011 9.520 -4.599 1.00 0.00 C ATOM 142 CG2 ILE A 10 14.773 9.900 -6.958 1.00 0.00 C ATOM 143 CD1 ILE A 10 14.298 8.313 -3.735 1.00 0.00 C ATOM 0 HA ILE A 10 12.001 10.395 -5.892 1.00 0.00 H new ATOM 0 HB ILE A 10 13.910 8.102 -6.201 1.00 0.00 H new ATOM 0 HG12 ILE A 10 14.848 10.215 -4.528 1.00 0.00 H new ATOM 0 HG13 ILE A 10 13.134 10.036 -4.208 1.00 0.00 H new ATOM 0 HG21 ILE A 10 15.786 9.633 -6.657 1.00 0.00 H new ATOM 0 HG22 ILE A 10 14.615 9.611 -7.997 1.00 0.00 H new ATOM 0 HG23 ILE A 10 14.636 10.977 -6.856 1.00 0.00 H new ATOM 0 HD11 ILE A 10 14.457 8.632 -2.705 1.00 0.00 H new ATOM 0 HD12 ILE A 10 13.452 7.627 -3.776 1.00 0.00 H new ATOM 0 HD13 ILE A 10 15.192 7.808 -4.101 1.00 0.00 H new ATOM 155 N PRO A 11 12.611 8.914 -8.816 1.00 0.00 N ATOM 156 CA PRO A 11 12.632 9.105 -10.270 1.00 0.00 C ATOM 157 C PRO A 11 11.236 9.316 -10.847 1.00 0.00 C ATOM 158 O PRO A 11 11.035 10.159 -11.721 1.00 0.00 O ATOM 159 CB PRO A 11 13.235 7.799 -10.791 1.00 0.00 C ATOM 160 CG PRO A 11 12.921 6.791 -9.739 1.00 0.00 C ATOM 161 CD PRO A 11 12.951 7.534 -8.432 1.00 0.00 C ATOM 0 HA PRO A 11 13.195 9.994 -10.556 1.00 0.00 H new ATOM 0 HB2 PRO A 11 12.801 7.518 -11.751 1.00 0.00 H new ATOM 0 HB3 PRO A 11 14.310 7.892 -10.942 1.00 0.00 H new ATOM 0 HG2 PRO A 11 11.943 6.341 -9.910 1.00 0.00 H new ATOM 0 HG3 PRO A 11 13.650 5.981 -9.744 1.00 0.00 H new ATOM 0 HD2 PRO A 11 12.232 7.126 -7.721 1.00 0.00 H new ATOM 0 HD3 PRO A 11 13.932 7.478 -7.961 1.00 0.00 H new ATOM 169 N VAL A 12 10.273 8.544 -10.351 1.00 0.00 N ATOM 170 CA VAL A 12 8.896 8.647 -10.816 1.00 0.00 C ATOM 171 C VAL A 12 8.405 10.090 -10.764 1.00 0.00 C ATOM 172 O VAL A 12 7.916 10.627 -11.759 1.00 0.00 O ATOM 173 CB VAL A 12 7.952 7.765 -9.978 1.00 0.00 C ATOM 174 CG1 VAL A 12 6.526 7.867 -10.495 1.00 0.00 C ATOM 175 CG2 VAL A 12 8.429 6.320 -9.985 1.00 0.00 C ATOM 0 H VAL A 12 10.422 7.841 -9.627 1.00 0.00 H new ATOM 0 HA VAL A 12 8.884 8.299 -11.849 1.00 0.00 H new ATOM 0 HB VAL A 12 7.965 8.124 -8.949 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.874 7.237 -9.890 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.190 8.902 -10.433 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.491 7.535 -11.533 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.751 5.710 -9.388 1.00 0.00 H new ATOM 0 HG22 VAL A 12 8.446 5.947 -11.009 1.00 0.00 H new ATOM 0 HG23 VAL A 12 9.432 6.266 -9.563 1.00 0.00 H new ATOM 185 N TYR A 13 8.537 10.712 -9.598 1.00 0.00 N ATOM 186 CA TYR A 13 8.106 12.093 -9.415 1.00 0.00 C ATOM 187 C TYR A 13 8.898 13.035 -10.314 1.00 0.00 C ATOM 188 O TYR A 13 8.341 13.956 -10.912 1.00 0.00 O ATOM 189 CB TYR A 13 8.266 12.509 -7.952 1.00 0.00 C ATOM 190 CG TYR A 13 7.134 12.049 -7.062 1.00 0.00 C ATOM 191 CD1 TYR A 13 6.771 10.709 -7.003 1.00 0.00 C ATOM 192 CD2 TYR A 13 6.427 12.953 -6.280 1.00 0.00 C ATOM 193 CE1 TYR A 13 5.737 10.283 -6.193 1.00 0.00 C ATOM 194 CE2 TYR A 13 5.392 12.537 -5.465 1.00 0.00 C ATOM 195 CZ TYR A 13 5.051 11.202 -5.425 1.00 0.00 C ATOM 196 OH TYR A 13 4.021 10.782 -4.614 1.00 0.00 O ATOM 0 H TYR A 13 8.939 10.282 -8.765 1.00 0.00 H new ATOM 0 HA TYR A 13 7.054 12.158 -9.691 1.00 0.00 H new ATOM 0 HB2 TYR A 13 9.204 12.106 -7.569 1.00 0.00 H new ATOM 0 HB3 TYR A 13 8.340 13.595 -7.898 1.00 0.00 H new ATOM 0 HD1 TYR A 13 7.307 9.988 -7.602 1.00 0.00 H new ATOM 0 HD2 TYR A 13 6.691 14.000 -6.310 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.467 9.238 -6.161 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.853 13.254 -4.863 1.00 0.00 H new ATOM 0 HH TYR A 13 3.643 11.552 -4.140 1.00 0.00 H new ATOM 206 N ALA A 14 10.202 12.798 -10.407 1.00 0.00 N ATOM 207 CA ALA A 14 11.073 13.623 -11.235 1.00 0.00 C ATOM 208 C ALA A 14 10.519 13.756 -12.650 1.00 0.00 C ATOM 209 O ALA A 14 10.373 14.862 -13.168 1.00 0.00 O ATOM 210 CB ALA A 14 12.477 13.040 -11.268 1.00 0.00 C ATOM 0 H ALA A 14 10.679 12.040 -9.918 1.00 0.00 H new ATOM 0 HA ALA A 14 11.116 14.619 -10.794 1.00 0.00 H new ATOM 0 HB1 ALA A 14 13.117 13.666 -11.890 1.00 0.00 H new ATOM 0 HB2 ALA A 14 12.879 13.003 -10.256 1.00 0.00 H new ATOM 0 HB3 ALA A 14 12.443 12.032 -11.682 1.00 0.00 H new ATOM 216 N SER A 15 10.215 12.620 -13.271 1.00 0.00 N ATOM 217 CA SER A 15 9.682 12.609 -14.628 1.00 0.00 C ATOM 218 C SER A 15 8.326 13.306 -14.685 1.00 0.00 C ATOM 219 O SER A 15 8.117 14.216 -15.486 1.00 0.00 O ATOM 220 CB SER A 15 9.552 11.172 -15.135 1.00 0.00 C ATOM 221 OG SER A 15 9.421 10.260 -14.059 1.00 0.00 O ATOM 0 H SER A 15 10.329 11.696 -12.855 1.00 0.00 H new ATOM 0 HA SER A 15 10.376 13.152 -15.270 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.685 11.092 -15.791 1.00 0.00 H new ATOM 0 HB3 SER A 15 10.427 10.913 -15.731 1.00 0.00 H new ATOM 0 HG SER A 15 8.782 10.614 -13.406 1.00 0.00 H new ATOM 227 N ILE A 16 7.408 12.870 -13.828 1.00 0.00 N ATOM 228 CA ILE A 16 6.072 13.451 -13.780 1.00 0.00 C ATOM 229 C ILE A 16 6.138 14.971 -13.684 1.00 0.00 C ATOM 230 O ILE A 16 5.395 15.680 -14.365 1.00 0.00 O ATOM 231 CB ILE A 16 5.264 12.906 -12.587 1.00 0.00 C ATOM 232 CG1 ILE A 16 5.053 11.398 -12.732 1.00 0.00 C ATOM 233 CG2 ILE A 16 3.928 13.626 -12.481 1.00 0.00 C ATOM 234 CD1 ILE A 16 4.560 10.732 -11.467 1.00 0.00 C ATOM 0 H ILE A 16 7.565 12.117 -13.158 1.00 0.00 H new ATOM 0 HA ILE A 16 5.571 13.169 -14.706 1.00 0.00 H new ATOM 0 HB ILE A 16 5.827 13.088 -11.671 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.336 11.215 -13.532 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.993 10.935 -13.034 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.368 13.231 -11.634 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.100 14.693 -12.336 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.358 13.471 -13.397 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.433 9.664 -11.644 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.287 10.884 -10.669 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.604 11.168 -11.175 1.00 0.00 H new ATOM 246 N LEU A 17 7.031 15.467 -12.834 1.00 0.00 N ATOM 247 CA LEU A 17 7.196 16.904 -12.650 1.00 0.00 C ATOM 248 C LEU A 17 7.623 17.576 -13.950 1.00 0.00 C ATOM 249 O LEU A 17 7.096 18.623 -14.323 1.00 0.00 O ATOM 250 CB LEU A 17 8.228 17.183 -11.555 1.00 0.00 C ATOM 251 CG LEU A 17 7.668 17.456 -10.159 1.00 0.00 C ATOM 252 CD1 LEU A 17 6.995 16.211 -9.600 1.00 0.00 C ATOM 253 CD2 LEU A 17 8.773 17.932 -9.226 1.00 0.00 C ATOM 0 H LEU A 17 7.652 14.895 -12.262 1.00 0.00 H new ATOM 0 HA LEU A 17 6.234 17.318 -12.349 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.903 16.329 -11.493 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.827 18.041 -11.859 1.00 0.00 H new ATOM 0 HG LEU A 17 6.919 18.244 -10.236 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.603 16.425 -8.606 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.177 15.913 -10.257 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.722 15.402 -9.537 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.357 18.122 -8.236 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.544 17.165 -9.154 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.210 18.850 -9.618 1.00 0.00 H new ATOM 265 N ALA A 18 8.582 16.964 -14.638 1.00 0.00 N ATOM 266 CA ALA A 18 9.077 17.499 -15.900 1.00 0.00 C ATOM 267 C ALA A 18 7.944 17.677 -16.905 1.00 0.00 C ATOM 268 O ALA A 18 7.736 18.768 -17.434 1.00 0.00 O ATOM 269 CB ALA A 18 10.155 16.590 -16.473 1.00 0.00 C ATOM 0 H ALA A 18 9.031 16.097 -14.342 1.00 0.00 H new ATOM 0 HA ALA A 18 9.510 18.480 -15.704 1.00 0.00 H new ATOM 0 HB1 ALA A 18 10.515 17.002 -17.416 1.00 0.00 H new ATOM 0 HB2 ALA A 18 10.983 16.519 -15.768 1.00 0.00 H new ATOM 0 HB3 ALA A 18 9.740 15.597 -16.646 1.00 0.00 H new ATOM 275 N ALA A 19 7.214 16.597 -17.162 1.00 0.00 N ATOM 276 CA ALA A 19 6.100 16.635 -18.102 1.00 0.00 C ATOM 277 C ALA A 19 5.139 17.772 -17.770 1.00 0.00 C ATOM 278 O ALA A 19 4.686 18.493 -18.659 1.00 0.00 O ATOM 279 CB ALA A 19 5.364 15.302 -18.102 1.00 0.00 C ATOM 0 H ALA A 19 7.374 15.685 -16.733 1.00 0.00 H new ATOM 0 HA ALA A 19 6.504 16.815 -19.098 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.535 15.344 -18.808 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.050 14.508 -18.395 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.979 15.099 -17.103 1.00 0.00 H new ATOM 285 N VAL A 20 4.833 17.926 -16.486 1.00 0.00 N ATOM 286 CA VAL A 20 3.927 18.976 -16.037 1.00 0.00 C ATOM 287 C VAL A 20 4.508 20.359 -16.314 1.00 0.00 C ATOM 288 O VAL A 20 3.876 21.190 -16.966 1.00 0.00 O ATOM 289 CB VAL A 20 3.623 18.850 -14.533 1.00 0.00 C ATOM 290 CG1 VAL A 20 2.612 19.902 -14.102 1.00 0.00 C ATOM 291 CG2 VAL A 20 3.122 17.452 -14.206 1.00 0.00 C ATOM 0 H VAL A 20 5.199 17.337 -15.738 1.00 0.00 H new ATOM 0 HA VAL A 20 3.000 18.856 -16.598 1.00 0.00 H new ATOM 0 HB VAL A 20 4.546 19.019 -13.978 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.410 19.797 -13.036 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.014 20.896 -14.299 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.686 19.768 -14.662 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.912 17.381 -13.139 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.211 17.251 -14.769 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.884 16.720 -14.475 1.00 0.00 H new ATOM 301 N VAL A 21 5.715 20.598 -15.813 1.00 0.00 N ATOM 302 CA VAL A 21 6.383 21.879 -16.006 1.00 0.00 C ATOM 303 C VAL A 21 6.449 22.247 -17.484 1.00 0.00 C ATOM 304 O VAL A 21 6.162 23.381 -17.866 1.00 0.00 O ATOM 305 CB VAL A 21 7.811 21.860 -15.430 1.00 0.00 C ATOM 306 CG1 VAL A 21 8.503 23.193 -15.672 1.00 0.00 C ATOM 307 CG2 VAL A 21 7.783 21.528 -13.946 1.00 0.00 C ATOM 0 H VAL A 21 6.251 19.921 -15.270 1.00 0.00 H new ATOM 0 HA VAL A 21 5.794 22.626 -15.474 1.00 0.00 H new ATOM 0 HB VAL A 21 8.379 21.084 -15.942 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.511 23.160 -15.258 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.557 23.386 -16.743 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.938 23.990 -15.188 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.801 21.519 -13.556 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.198 22.280 -13.416 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.330 20.547 -13.801 1.00 0.00 H new ATOM 317 N VAL A 22 6.827 21.279 -18.314 1.00 0.00 N ATOM 318 CA VAL A 22 6.929 21.501 -19.751 1.00 0.00 C ATOM 319 C VAL A 22 5.564 21.808 -20.358 1.00 0.00 C ATOM 320 O VAL A 22 5.427 22.716 -21.176 1.00 0.00 O ATOM 321 CB VAL A 22 7.532 20.276 -20.466 1.00 0.00 C ATOM 322 CG1 VAL A 22 7.697 20.554 -21.952 1.00 0.00 C ATOM 323 CG2 VAL A 22 8.861 19.893 -19.835 1.00 0.00 C ATOM 0 H VAL A 22 7.067 20.334 -18.015 1.00 0.00 H new ATOM 0 HA VAL A 22 7.588 22.358 -19.893 1.00 0.00 H new ATOM 0 HB VAL A 22 6.847 19.436 -20.352 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.124 19.678 -22.441 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.724 20.776 -22.391 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.361 21.407 -22.091 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.273 19.026 -20.352 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.557 20.728 -19.916 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.708 19.649 -18.784 1.00 0.00 H new ATOM 333 N GLY A 23 4.555 21.044 -19.950 1.00 0.00 N ATOM 334 CA GLY A 23 3.213 21.251 -20.462 1.00 0.00 C ATOM 335 C GLY A 23 2.720 22.667 -20.241 1.00 0.00 C ATOM 336 O GLY A 23 2.069 23.249 -21.111 1.00 0.00 O ATOM 0 H GLY A 23 4.643 20.285 -19.274 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.196 21.026 -21.528 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.531 20.552 -19.978 1.00 0.00 H new ATOM 340 N LEU A 24 3.029 23.223 -19.076 1.00 0.00 N ATOM 341 CA LEU A 24 2.611 24.581 -18.741 1.00 0.00 C ATOM 342 C LEU A 24 3.374 25.607 -19.574 1.00 0.00 C ATOM 343 O LEU A 24 2.777 26.396 -20.305 1.00 0.00 O ATOM 344 CB LEU A 24 2.830 24.852 -17.252 1.00 0.00 C ATOM 345 CG LEU A 24 1.569 25.085 -16.419 1.00 0.00 C ATOM 346 CD1 LEU A 24 1.761 24.569 -15.002 1.00 0.00 C ATOM 347 CD2 LEU A 24 1.205 26.563 -16.406 1.00 0.00 C ATOM 0 H LEU A 24 3.567 22.756 -18.347 1.00 0.00 H new ATOM 0 HA LEU A 24 1.549 24.673 -18.968 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.372 24.008 -16.826 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.473 25.726 -17.153 1.00 0.00 H new ATOM 0 HG LEU A 24 0.748 24.532 -16.876 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.853 24.744 -14.425 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.973 23.500 -15.030 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.595 25.092 -14.534 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.305 26.711 -15.809 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.026 27.136 -15.974 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.023 26.902 -17.426 1.00 0.00 H new ATOM 359 N VAL A 25 4.699 25.588 -19.457 1.00 0.00 N ATOM 360 CA VAL A 25 5.544 26.512 -20.202 1.00 0.00 C ATOM 361 C VAL A 25 5.266 26.430 -21.698 1.00 0.00 C ATOM 362 O VAL A 25 4.903 27.423 -22.328 1.00 0.00 O ATOM 363 CB VAL A 25 7.038 26.232 -19.952 1.00 0.00 C ATOM 364 CG1 VAL A 25 7.903 27.186 -20.761 1.00 0.00 C ATOM 365 CG2 VAL A 25 7.359 26.336 -18.468 1.00 0.00 C ATOM 0 H VAL A 25 5.209 24.943 -18.854 1.00 0.00 H new ATOM 0 HA VAL A 25 5.305 27.514 -19.847 1.00 0.00 H new ATOM 0 HB VAL A 25 7.258 25.215 -20.277 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.955 26.973 -20.571 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.692 27.057 -21.823 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.683 28.213 -20.470 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.419 26.135 -18.310 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.123 27.340 -18.114 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.765 25.608 -17.915 1.00 0.00 H new ATOM 375 N ALA A 26 5.437 25.239 -22.261 1.00 0.00 N ATOM 376 CA ALA A 26 5.203 25.026 -23.683 1.00 0.00 C ATOM 377 C ALA A 26 3.841 25.571 -24.103 1.00 0.00 C ATOM 378 O ALA A 26 3.729 26.288 -25.098 1.00 0.00 O ATOM 379 CB ALA A 26 5.306 23.545 -24.020 1.00 0.00 C ATOM 0 H ALA A 26 5.737 24.407 -21.754 1.00 0.00 H new ATOM 0 HA ALA A 26 5.970 25.568 -24.237 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.129 23.401 -25.086 1.00 0.00 H new ATOM 0 HB2 ALA A 26 6.302 23.182 -23.766 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.561 22.990 -23.450 1.00 0.00 H new ATOM 385 N TYR A 27 2.811 25.227 -23.339 1.00 0.00 N ATOM 386 CA TYR A 27 1.457 25.680 -23.634 1.00 0.00 C ATOM 387 C TYR A 27 1.385 27.204 -23.655 1.00 0.00 C ATOM 388 O TYR A 27 0.746 27.795 -24.527 1.00 0.00 O ATOM 389 CB TYR A 27 0.475 25.127 -22.601 1.00 0.00 C ATOM 390 CG TYR A 27 -0.834 25.883 -22.543 1.00 0.00 C ATOM 391 CD1 TYR A 27 -0.993 26.971 -21.693 1.00 0.00 C ATOM 392 CD2 TYR A 27 -1.911 25.508 -23.337 1.00 0.00 C ATOM 393 CE1 TYR A 27 -2.187 27.663 -21.636 1.00 0.00 C ATOM 394 CE2 TYR A 27 -3.108 26.196 -23.287 1.00 0.00 C ATOM 395 CZ TYR A 27 -3.241 27.272 -22.435 1.00 0.00 C ATOM 396 OH TYR A 27 -4.432 27.959 -22.383 1.00 0.00 O ATOM 0 H TYR A 27 2.887 24.636 -22.511 1.00 0.00 H new ATOM 0 HA TYR A 27 1.184 25.307 -24.621 1.00 0.00 H new ATOM 0 HB2 TYR A 27 0.271 24.081 -22.830 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.943 25.152 -21.617 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.169 27.280 -21.067 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -1.811 24.665 -24.004 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -2.295 28.506 -20.969 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.935 25.893 -23.912 1.00 0.00 H new ATOM 0 HH TYR A 27 -5.070 27.556 -23.009 1.00 0.00 H new ATOM 406 N ILE A 28 2.045 27.835 -22.690 1.00 0.00 N ATOM 407 CA ILE A 28 2.058 29.289 -22.598 1.00 0.00 C ATOM 408 C ILE A 28 2.796 29.908 -23.779 1.00 0.00 C ATOM 409 O ILE A 28 2.273 30.791 -24.459 1.00 0.00 O ATOM 410 CB ILE A 28 2.715 29.764 -21.289 1.00 0.00 C ATOM 411 CG1 ILE A 28 1.956 29.213 -20.081 1.00 0.00 C ATOM 412 CG2 ILE A 28 2.763 31.284 -21.242 1.00 0.00 C ATOM 413 CD1 ILE A 28 2.842 28.925 -18.889 1.00 0.00 C ATOM 0 H ILE A 28 2.578 27.362 -21.961 1.00 0.00 H new ATOM 0 HA ILE A 28 1.018 29.616 -22.612 1.00 0.00 H new ATOM 0 HB ILE A 28 3.737 29.386 -21.255 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.188 29.929 -19.788 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.443 28.296 -20.372 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.230 31.605 -20.311 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.344 31.656 -22.086 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.750 31.682 -21.295 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.236 28.537 -18.070 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.594 28.186 -19.165 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.335 29.844 -18.572 1.00 0.00 H new ATOM 425 N ALA A 29 4.016 29.438 -24.019 1.00 0.00 N ATOM 426 CA ALA A 29 4.826 29.942 -25.121 1.00 0.00 C ATOM 427 C ALA A 29 4.057 29.893 -26.436 1.00 0.00 C ATOM 428 O ALA A 29 4.175 30.789 -27.271 1.00 0.00 O ATOM 429 CB ALA A 29 6.119 29.148 -25.233 1.00 0.00 C ATOM 0 H ALA A 29 4.465 28.709 -23.465 1.00 0.00 H new ATOM 0 HA ALA A 29 5.070 30.984 -24.912 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.714 29.536 -26.060 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.684 29.240 -24.305 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.887 28.098 -25.414 1.00 0.00 H new ATOM 435 N PHE A 30 3.268 28.838 -26.615 1.00 0.00 N ATOM 436 CA PHE A 30 2.480 28.670 -27.830 1.00 0.00 C ATOM 437 C PHE A 30 1.325 29.667 -27.872 1.00 0.00 C ATOM 438 O PHE A 30 1.136 30.376 -28.860 1.00 0.00 O ATOM 439 CB PHE A 30 1.939 27.241 -27.919 1.00 0.00 C ATOM 440 CG PHE A 30 1.467 26.864 -29.294 1.00 0.00 C ATOM 441 CD1 PHE A 30 0.314 27.421 -29.823 1.00 0.00 C ATOM 442 CD2 PHE A 30 2.177 25.951 -30.059 1.00 0.00 C ATOM 443 CE1 PHE A 30 -0.122 27.076 -31.088 1.00 0.00 C ATOM 444 CE2 PHE A 30 1.746 25.603 -31.324 1.00 0.00 C ATOM 445 CZ PHE A 30 0.593 26.164 -31.840 1.00 0.00 C ATOM 0 H PHE A 30 3.158 28.087 -25.934 1.00 0.00 H new ATOM 0 HA PHE A 30 3.131 28.859 -28.684 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.719 26.546 -27.608 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.113 27.129 -27.217 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.251 28.133 -29.240 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.077 25.507 -29.661 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.022 27.519 -31.489 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.310 24.892 -31.910 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.252 25.890 -32.828 1.00 0.00 H new ATOM 455 N LYS A 31 0.554 29.714 -26.790 1.00 0.00 N ATOM 456 CA LYS A 31 -0.583 30.623 -26.700 1.00 0.00 C ATOM 457 C LYS A 31 -0.165 32.051 -27.034 1.00 0.00 C ATOM 458 O LYS A 31 -0.741 32.686 -27.919 1.00 0.00 O ATOM 459 CB LYS A 31 -1.192 30.573 -25.298 1.00 0.00 C ATOM 460 CG LYS A 31 -2.706 30.452 -25.295 1.00 0.00 C ATOM 461 CD LYS A 31 -3.357 31.579 -26.079 1.00 0.00 C ATOM 462 CE LYS A 31 -4.875 31.491 -26.025 1.00 0.00 C ATOM 463 NZ LYS A 31 -5.423 32.112 -24.788 1.00 0.00 N1+ ATOM 0 H LYS A 31 0.696 29.133 -25.964 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.331 30.303 -27.426 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.768 29.727 -24.757 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.907 31.474 -24.755 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.996 29.493 -25.725 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.071 30.464 -24.268 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.033 32.539 -25.676 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.026 31.540 -27.117 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.299 31.987 -26.898 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.180 30.446 -26.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.460 32.031 -24.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.039 31.623 -23.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.154 33.116 -24.755 1.00 0.00 H new ATOM 477 N ARG A 32 0.839 32.551 -26.321 1.00 0.00 N ATOM 478 CA ARG A 32 1.334 33.905 -26.544 1.00 0.00 C ATOM 479 C ARG A 32 1.782 34.090 -27.990 1.00 0.00 C ATOM 480 O ARG A 32 1.571 35.146 -28.585 1.00 0.00 O ATOM 481 CB ARG A 32 2.495 34.207 -25.594 1.00 0.00 C ATOM 482 CG ARG A 32 2.082 34.294 -24.135 1.00 0.00 C ATOM 483 CD ARG A 32 1.228 35.523 -23.869 1.00 0.00 C ATOM 484 NE ARG A 32 1.311 35.957 -22.477 1.00 0.00 N ATOM 485 CZ ARG A 32 0.578 36.941 -21.968 1.00 0.00 C ATOM 486 NH1 ARG A 32 -0.289 37.589 -22.733 1.00 0.00 N1+ ATOM 487 NH2 ARG A 32 0.712 37.278 -20.692 1.00 0.00 N ATOM 0 H ARG A 32 1.325 32.040 -25.585 1.00 0.00 H new ATOM 0 HA ARG A 32 0.519 34.601 -26.345 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.253 33.431 -25.702 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.958 35.149 -25.888 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.527 33.397 -23.859 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.971 34.325 -23.505 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.549 36.335 -24.522 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.190 35.304 -24.119 1.00 0.00 H new ATOM 0 HE ARG A 32 1.968 35.478 -21.861 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -0.394 37.332 -23.715 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.851 38.344 -22.340 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.378 36.781 -20.101 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.149 38.034 -20.302 1.00 0.00 H new ATOM 789 N ILE B 110 -10.209 11.245 -8.866 1.00 0.00 N ATOM 790 CA ILE B 110 -10.784 11.467 -10.187 1.00 0.00 C ATOM 791 C ILE B 110 -10.189 12.707 -10.845 1.00 0.00 C ATOM 792 O ILE B 110 -9.623 12.649 -11.936 1.00 0.00 O ATOM 793 CB ILE B 110 -12.315 11.622 -10.115 1.00 0.00 C ATOM 794 CG1 ILE B 110 -12.993 10.253 -10.194 1.00 0.00 C ATOM 795 CG2 ILE B 110 -12.808 12.528 -11.233 1.00 0.00 C ATOM 796 CD1 ILE B 110 -14.075 10.053 -9.154 1.00 0.00 C ATOM 0 HA ILE B 110 -10.543 10.590 -10.787 1.00 0.00 H new ATOM 0 HB ILE B 110 -12.574 12.080 -9.161 1.00 0.00 H new ATOM 0 HG12 ILE B 110 -13.427 10.128 -11.186 1.00 0.00 H new ATOM 0 HG13 ILE B 110 -12.238 9.475 -10.076 1.00 0.00 H new ATOM 0 HG21 ILE B 110 -13.892 12.628 -11.169 1.00 0.00 H new ATOM 0 HG22 ILE B 110 -12.346 13.511 -11.135 1.00 0.00 H new ATOM 0 HG23 ILE B 110 -12.540 12.095 -12.197 1.00 0.00 H new ATOM 0 HD11 ILE B 110 -14.512 9.061 -9.270 1.00 0.00 H new ATOM 0 HD12 ILE B 110 -13.643 10.146 -8.157 1.00 0.00 H new ATOM 0 HD13 ILE B 110 -14.850 10.808 -9.285 1.00 0.00 H new ATOM 808 N PRO B 111 -10.318 13.857 -10.166 1.00 0.00 N ATOM 809 CA PRO B 111 -9.796 15.132 -10.664 1.00 0.00 C ATOM 810 C PRO B 111 -8.273 15.181 -10.651 1.00 0.00 C ATOM 811 O PRO B 111 -7.650 15.692 -11.583 1.00 0.00 O ATOM 812 CB PRO B 111 -10.372 16.158 -9.685 1.00 0.00 C ATOM 813 CG PRO B 111 -10.609 15.392 -8.429 1.00 0.00 C ATOM 814 CD PRO B 111 -10.981 13.999 -8.859 1.00 0.00 C ATOM 0 HA PRO B 111 -10.076 15.308 -11.702 1.00 0.00 H new ATOM 0 HB2 PRO B 111 -9.678 16.982 -9.521 1.00 0.00 H new ATOM 0 HB3 PRO B 111 -11.297 16.592 -10.065 1.00 0.00 H new ATOM 0 HG2 PRO B 111 -9.717 15.382 -7.803 1.00 0.00 H new ATOM 0 HG3 PRO B 111 -11.406 15.845 -7.840 1.00 0.00 H new ATOM 0 HD2 PRO B 111 -10.630 13.252 -8.147 1.00 0.00 H new ATOM 0 HD3 PRO B 111 -12.061 13.879 -8.941 1.00 0.00 H new ATOM 822 N VAL B 112 -7.677 14.646 -9.591 1.00 0.00 N ATOM 823 CA VAL B 112 -6.225 14.627 -9.458 1.00 0.00 C ATOM 824 C VAL B 112 -5.566 14.058 -10.709 1.00 0.00 C ATOM 825 O VAL B 112 -4.705 14.696 -11.315 1.00 0.00 O ATOM 826 CB VAL B 112 -5.784 13.799 -8.236 1.00 0.00 C ATOM 827 CG1 VAL B 112 -4.279 13.892 -8.042 1.00 0.00 C ATOM 828 CG2 VAL B 112 -6.521 14.257 -6.987 1.00 0.00 C ATOM 0 H VAL B 112 -8.177 14.220 -8.811 1.00 0.00 H new ATOM 0 HA VAL B 112 -5.906 15.660 -9.321 1.00 0.00 H new ATOM 0 HB VAL B 112 -6.038 12.755 -8.417 1.00 0.00 H new ATOM 0 HG11 VAL B 112 -3.987 13.301 -7.174 1.00 0.00 H new ATOM 0 HG12 VAL B 112 -3.774 13.509 -8.929 1.00 0.00 H new ATOM 0 HG13 VAL B 112 -3.996 14.933 -7.884 1.00 0.00 H new ATOM 0 HG21 VAL B 112 -6.197 13.661 -6.134 1.00 0.00 H new ATOM 0 HG22 VAL B 112 -6.301 15.308 -6.800 1.00 0.00 H new ATOM 0 HG23 VAL B 112 -7.594 14.131 -7.131 1.00 0.00 H new ATOM 838 N TYR B 113 -5.976 12.853 -11.091 1.00 0.00 N ATOM 839 CA TYR B 113 -5.424 12.197 -12.270 1.00 0.00 C ATOM 840 C TYR B 113 -5.765 12.975 -13.538 1.00 0.00 C ATOM 841 O TYR B 113 -4.927 13.139 -14.423 1.00 0.00 O ATOM 842 CB TYR B 113 -5.955 10.766 -12.378 1.00 0.00 C ATOM 843 CG TYR B 113 -5.174 9.766 -11.556 1.00 0.00 C ATOM 844 CD1 TYR B 113 -4.940 9.980 -10.203 1.00 0.00 C ATOM 845 CD2 TYR B 113 -4.668 8.607 -12.133 1.00 0.00 C ATOM 846 CE1 TYR B 113 -4.226 9.069 -9.449 1.00 0.00 C ATOM 847 CE2 TYR B 113 -3.954 7.691 -11.386 1.00 0.00 C ATOM 848 CZ TYR B 113 -3.735 7.926 -10.045 1.00 0.00 C ATOM 849 OH TYR B 113 -3.024 7.016 -9.296 1.00 0.00 O ATOM 0 H TYR B 113 -6.688 12.311 -10.601 1.00 0.00 H new ATOM 0 HA TYR B 113 -4.340 12.169 -12.164 1.00 0.00 H new ATOM 0 HB2 TYR B 113 -6.998 10.749 -12.060 1.00 0.00 H new ATOM 0 HB3 TYR B 113 -5.936 10.458 -13.423 1.00 0.00 H new ATOM 0 HD1 TYR B 113 -5.323 10.874 -9.733 1.00 0.00 H new ATOM 0 HD2 TYR B 113 -4.836 8.420 -13.183 1.00 0.00 H new ATOM 0 HE1 TYR B 113 -4.053 9.251 -8.399 1.00 0.00 H new ATOM 0 HE2 TYR B 113 -3.569 6.795 -11.850 1.00 0.00 H new ATOM 0 HH TYR B 113 -2.750 6.267 -9.865 1.00 0.00 H new ATOM 859 N ALA B 114 -7.003 13.452 -13.616 1.00 0.00 N ATOM 860 CA ALA B 114 -7.455 14.215 -14.771 1.00 0.00 C ATOM 861 C ALA B 114 -6.494 15.356 -15.087 1.00 0.00 C ATOM 862 O ALA B 114 -6.027 15.492 -16.217 1.00 0.00 O ATOM 863 CB ALA B 114 -8.858 14.755 -14.531 1.00 0.00 C ATOM 0 H ALA B 114 -7.710 13.323 -12.892 1.00 0.00 H new ATOM 0 HA ALA B 114 -7.477 13.545 -15.631 1.00 0.00 H new ATOM 0 HB1 ALA B 114 -9.183 15.323 -15.402 1.00 0.00 H new ATOM 0 HB2 ALA B 114 -9.544 13.925 -14.363 1.00 0.00 H new ATOM 0 HB3 ALA B 114 -8.853 15.404 -13.656 1.00 0.00 H new ATOM 869 N SER B 115 -6.204 16.175 -14.080 1.00 0.00 N ATOM 870 CA SER B 115 -5.303 17.308 -14.252 1.00 0.00 C ATOM 871 C SER B 115 -3.901 16.834 -14.625 1.00 0.00 C ATOM 872 O SER B 115 -3.335 17.266 -15.630 1.00 0.00 O ATOM 873 CB SER B 115 -5.246 18.141 -12.969 1.00 0.00 C ATOM 874 OG SER B 115 -5.576 17.356 -11.837 1.00 0.00 O ATOM 0 H SER B 115 -6.580 16.074 -13.137 1.00 0.00 H new ATOM 0 HA SER B 115 -5.688 17.927 -15.063 1.00 0.00 H new ATOM 0 HB2 SER B 115 -4.247 18.559 -12.847 1.00 0.00 H new ATOM 0 HB3 SER B 115 -5.936 18.981 -13.046 1.00 0.00 H new ATOM 0 HG SER B 115 -5.069 16.518 -11.861 1.00 0.00 H new ATOM 880 N ILE B 116 -3.347 15.944 -13.809 1.00 0.00 N ATOM 881 CA ILE B 116 -2.013 15.411 -14.053 1.00 0.00 C ATOM 882 C ILE B 116 -1.878 14.899 -15.483 1.00 0.00 C ATOM 883 O ILE B 116 -0.871 15.141 -16.149 1.00 0.00 O ATOM 884 CB ILE B 116 -1.677 14.267 -13.078 1.00 0.00 C ATOM 885 CG1 ILE B 116 -1.654 14.785 -11.638 1.00 0.00 C ATOM 886 CG2 ILE B 116 -0.340 13.637 -13.440 1.00 0.00 C ATOM 887 CD1 ILE B 116 -1.660 13.686 -10.600 1.00 0.00 C ATOM 0 H ILE B 116 -3.802 15.577 -12.973 1.00 0.00 H new ATOM 0 HA ILE B 116 -1.313 16.231 -13.895 1.00 0.00 H new ATOM 0 HB ILE B 116 -2.450 13.503 -13.158 1.00 0.00 H new ATOM 0 HG12 ILE B 116 -0.767 15.402 -11.497 1.00 0.00 H new ATOM 0 HG13 ILE B 116 -2.519 15.429 -11.478 1.00 0.00 H new ATOM 0 HG21 ILE B 116 -0.117 12.830 -12.742 1.00 0.00 H new ATOM 0 HG22 ILE B 116 -0.389 13.237 -14.453 1.00 0.00 H new ATOM 0 HG23 ILE B 116 0.445 14.392 -13.385 1.00 0.00 H new ATOM 0 HD11 ILE B 116 -1.643 14.127 -9.603 1.00 0.00 H new ATOM 0 HD12 ILE B 116 -2.560 13.082 -10.714 1.00 0.00 H new ATOM 0 HD13 ILE B 116 -0.781 13.055 -10.733 1.00 0.00 H new ATOM 899 N LEU B 117 -2.901 14.193 -15.952 1.00 0.00 N ATOM 900 CA LEU B 117 -2.899 13.648 -17.304 1.00 0.00 C ATOM 901 C LEU B 117 -2.815 14.763 -18.341 1.00 0.00 C ATOM 902 O LEU B 117 -2.068 14.666 -19.314 1.00 0.00 O ATOM 903 CB LEU B 117 -4.159 12.812 -17.541 1.00 0.00 C ATOM 904 CG LEU B 117 -4.004 11.301 -17.360 1.00 0.00 C ATOM 905 CD1 LEU B 117 -3.687 10.967 -15.911 1.00 0.00 C ATOM 906 CD2 LEU B 117 -5.266 10.579 -17.810 1.00 0.00 C ATOM 0 H LEU B 117 -3.743 13.985 -15.415 1.00 0.00 H new ATOM 0 HA LEU B 117 -2.021 13.011 -17.410 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -4.936 13.162 -16.862 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -4.512 13.002 -18.554 1.00 0.00 H new ATOM 0 HG LEU B 117 -3.174 10.963 -17.980 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -3.580 9.888 -15.801 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -2.757 11.455 -15.620 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -4.496 11.318 -15.271 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -5.139 9.505 -17.674 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -6.113 10.922 -17.216 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -5.452 10.792 -18.863 1.00 0.00 H new ATOM 918 N ALA B 118 -3.585 15.825 -18.123 1.00 0.00 N ATOM 919 CA ALA B 118 -3.592 16.962 -19.035 1.00 0.00 C ATOM 920 C ALA B 118 -2.198 17.561 -19.182 1.00 0.00 C ATOM 921 O ALA B 118 -1.709 17.755 -20.294 1.00 0.00 O ATOM 922 CB ALA B 118 -4.575 18.020 -18.552 1.00 0.00 C ATOM 0 H ALA B 118 -4.211 15.921 -17.324 1.00 0.00 H new ATOM 0 HA ALA B 118 -3.909 16.606 -20.015 1.00 0.00 H new ATOM 0 HB1 ALA B 118 -4.570 18.863 -19.242 1.00 0.00 H new ATOM 0 HB2 ALA B 118 -5.577 17.593 -18.508 1.00 0.00 H new ATOM 0 HB3 ALA B 118 -4.283 18.362 -17.559 1.00 0.00 H new ATOM 928 N ALA B 119 -1.562 17.851 -18.051 1.00 0.00 N ATOM 929 CA ALA B 119 -0.223 18.426 -18.053 1.00 0.00 C ATOM 930 C ALA B 119 0.759 17.526 -18.795 1.00 0.00 C ATOM 931 O ALA B 119 1.664 18.007 -19.478 1.00 0.00 O ATOM 932 CB ALA B 119 0.250 18.665 -16.627 1.00 0.00 C ATOM 0 H ALA B 119 -1.953 17.697 -17.122 1.00 0.00 H new ATOM 0 HA ALA B 119 -0.265 19.382 -18.575 1.00 0.00 H new ATOM 0 HB1 ALA B 119 1.252 19.095 -16.643 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -0.432 19.353 -16.128 1.00 0.00 H new ATOM 0 HB3 ALA B 119 0.270 17.718 -16.087 1.00 0.00 H new ATOM 938 N VAL B 120 0.577 16.216 -18.655 1.00 0.00 N ATOM 939 CA VAL B 120 1.447 15.248 -19.313 1.00 0.00 C ATOM 940 C VAL B 120 1.167 15.186 -20.811 1.00 0.00 C ATOM 941 O VAL B 120 2.089 15.158 -21.625 1.00 0.00 O ATOM 942 CB VAL B 120 1.278 13.842 -18.711 1.00 0.00 C ATOM 943 CG1 VAL B 120 1.175 12.798 -19.812 1.00 0.00 C ATOM 944 CG2 VAL B 120 2.430 13.523 -17.769 1.00 0.00 C ATOM 0 H VAL B 120 -0.165 15.801 -18.092 1.00 0.00 H new ATOM 0 HA VAL B 120 2.472 15.583 -19.152 1.00 0.00 H new ATOM 0 HB VAL B 120 0.352 13.822 -18.136 1.00 0.00 H new ATOM 0 HG11 VAL B 120 1.056 11.810 -19.367 1.00 0.00 H new ATOM 0 HG12 VAL B 120 0.314 13.018 -20.443 1.00 0.00 H new ATOM 0 HG13 VAL B 120 2.082 12.816 -20.417 1.00 0.00 H new ATOM 0 HG21 VAL B 120 2.294 12.525 -17.353 1.00 0.00 H new ATOM 0 HG22 VAL B 120 3.371 13.562 -18.318 1.00 0.00 H new ATOM 0 HG23 VAL B 120 2.452 14.254 -16.960 1.00 0.00 H new ATOM 954 N VAL B 121 -0.113 15.165 -21.167 1.00 0.00 N ATOM 955 CA VAL B 121 -0.517 15.107 -22.567 1.00 0.00 C ATOM 956 C VAL B 121 -0.055 16.347 -23.324 1.00 0.00 C ATOM 957 O VAL B 121 0.430 16.255 -24.451 1.00 0.00 O ATOM 958 CB VAL B 121 -2.045 14.974 -22.705 1.00 0.00 C ATOM 959 CG1 VAL B 121 -2.450 14.974 -24.172 1.00 0.00 C ATOM 960 CG2 VAL B 121 -2.535 13.714 -22.008 1.00 0.00 C ATOM 0 H VAL B 121 -0.889 15.187 -20.505 1.00 0.00 H new ATOM 0 HA VAL B 121 -0.043 14.225 -22.997 1.00 0.00 H new ATOM 0 HB VAL B 121 -2.513 15.833 -22.223 1.00 0.00 H new ATOM 0 HG11 VAL B 121 -3.533 14.879 -24.250 1.00 0.00 H new ATOM 0 HG12 VAL B 121 -2.133 15.907 -24.637 1.00 0.00 H new ATOM 0 HG13 VAL B 121 -1.975 14.135 -24.681 1.00 0.00 H new ATOM 0 HG21 VAL B 121 -3.617 13.636 -22.116 1.00 0.00 H new ATOM 0 HG22 VAL B 121 -2.062 12.842 -22.458 1.00 0.00 H new ATOM 0 HG23 VAL B 121 -2.278 13.760 -20.950 1.00 0.00 H new ATOM 970 N VAL B 122 -0.207 17.508 -22.694 1.00 0.00 N ATOM 971 CA VAL B 122 0.197 18.768 -23.307 1.00 0.00 C ATOM 972 C VAL B 122 1.714 18.867 -23.414 1.00 0.00 C ATOM 973 O VAL B 122 2.249 19.292 -24.437 1.00 0.00 O ATOM 974 CB VAL B 122 -0.330 19.976 -22.508 1.00 0.00 C ATOM 975 CG1 VAL B 122 0.011 21.276 -23.219 1.00 0.00 C ATOM 976 CG2 VAL B 122 -1.831 19.854 -22.290 1.00 0.00 C ATOM 0 H VAL B 122 -0.607 17.602 -21.760 1.00 0.00 H new ATOM 0 HA VAL B 122 -0.236 18.786 -24.307 1.00 0.00 H new ATOM 0 HB VAL B 122 0.156 19.986 -21.533 1.00 0.00 H new ATOM 0 HG11 VAL B 122 -0.369 22.118 -22.640 1.00 0.00 H new ATOM 0 HG12 VAL B 122 1.093 21.363 -23.319 1.00 0.00 H new ATOM 0 HG13 VAL B 122 -0.446 21.280 -24.209 1.00 0.00 H new ATOM 0 HG21 VAL B 122 -2.188 20.715 -21.724 1.00 0.00 H new ATOM 0 HG22 VAL B 122 -2.337 19.819 -23.255 1.00 0.00 H new ATOM 0 HG23 VAL B 122 -2.045 18.941 -21.735 1.00 0.00 H new ATOM 986 N GLY B 123 2.404 18.468 -22.349 1.00 0.00 N ATOM 987 CA GLY B 123 3.854 18.519 -22.343 1.00 0.00 C ATOM 988 C GLY B 123 4.468 17.697 -23.459 1.00 0.00 C ATOM 989 O GLY B 123 5.465 18.098 -24.059 1.00 0.00 O ATOM 0 H GLY B 123 1.984 18.111 -21.491 1.00 0.00 H new ATOM 0 HA2 GLY B 123 4.178 19.555 -22.439 1.00 0.00 H new ATOM 0 HA3 GLY B 123 4.223 18.157 -21.384 1.00 0.00 H new ATOM 993 N LEU B 124 3.872 16.543 -23.737 1.00 0.00 N ATOM 994 CA LEU B 124 4.367 15.660 -24.789 1.00 0.00 C ATOM 995 C LEU B 124 4.107 16.257 -26.167 1.00 0.00 C ATOM 996 O LEU B 124 5.033 16.460 -26.953 1.00 0.00 O ATOM 997 CB LEU B 124 3.704 14.285 -24.681 1.00 0.00 C ATOM 998 CG LEU B 124 4.628 13.121 -24.320 1.00 0.00 C ATOM 999 CD1 LEU B 124 3.879 12.078 -23.507 1.00 0.00 C ATOM 1000 CD2 LEU B 124 5.216 12.498 -25.578 1.00 0.00 C ATOM 0 H LEU B 124 3.046 16.196 -23.249 1.00 0.00 H new ATOM 0 HA LEU B 124 5.444 15.548 -24.660 1.00 0.00 H new ATOM 0 HB2 LEU B 124 2.915 14.342 -23.931 1.00 0.00 H new ATOM 0 HB3 LEU B 124 3.224 14.060 -25.633 1.00 0.00 H new ATOM 0 HG LEU B 124 5.447 13.506 -23.712 1.00 0.00 H new ATOM 0 HD11 LEU B 124 4.552 11.257 -23.259 1.00 0.00 H new ATOM 0 HD12 LEU B 124 3.506 12.531 -22.589 1.00 0.00 H new ATOM 0 HD13 LEU B 124 3.040 11.696 -24.089 1.00 0.00 H new ATOM 0 HD21 LEU B 124 5.871 11.671 -25.303 1.00 0.00 H new ATOM 0 HD22 LEU B 124 4.410 12.127 -26.211 1.00 0.00 H new ATOM 0 HD23 LEU B 124 5.789 13.249 -26.122 1.00 0.00 H new ATOM 1012 N VAL B 125 2.839 16.536 -26.456 1.00 0.00 N ATOM 1013 CA VAL B 125 2.457 17.114 -27.740 1.00 0.00 C ATOM 1014 C VAL B 125 3.177 18.435 -27.984 1.00 0.00 C ATOM 1015 O VAL B 125 3.886 18.592 -28.977 1.00 0.00 O ATOM 1016 CB VAL B 125 0.937 17.347 -27.820 1.00 0.00 C ATOM 1017 CG1 VAL B 125 0.562 17.977 -29.152 1.00 0.00 C ATOM 1018 CG2 VAL B 125 0.186 16.040 -27.609 1.00 0.00 C ATOM 0 H VAL B 125 2.060 16.371 -25.819 1.00 0.00 H new ATOM 0 HA VAL B 125 2.748 16.398 -28.509 1.00 0.00 H new ATOM 0 HB VAL B 125 0.651 18.037 -27.026 1.00 0.00 H new ATOM 0 HG11 VAL B 125 -0.516 18.134 -29.190 1.00 0.00 H new ATOM 0 HG12 VAL B 125 1.072 18.934 -29.258 1.00 0.00 H new ATOM 0 HG13 VAL B 125 0.861 17.315 -29.965 1.00 0.00 H new ATOM 0 HG21 VAL B 125 -0.887 16.223 -27.669 1.00 0.00 H new ATOM 0 HG22 VAL B 125 0.476 15.325 -28.379 1.00 0.00 H new ATOM 0 HG23 VAL B 125 0.431 15.634 -26.627 1.00 0.00 H new ATOM 1028 N ALA B 126 2.989 19.382 -27.071 1.00 0.00 N ATOM 1029 CA ALA B 126 3.622 20.690 -27.186 1.00 0.00 C ATOM 1030 C ALA B 126 5.118 20.555 -27.451 1.00 0.00 C ATOM 1031 O ALA B 126 5.651 21.159 -28.382 1.00 0.00 O ATOM 1032 CB ALA B 126 3.379 21.506 -25.926 1.00 0.00 C ATOM 0 H ALA B 126 2.404 19.268 -26.244 1.00 0.00 H new ATOM 0 HA ALA B 126 3.175 21.209 -28.034 1.00 0.00 H new ATOM 0 HB1 ALA B 126 3.857 22.480 -26.026 1.00 0.00 H new ATOM 0 HB2 ALA B 126 2.307 21.641 -25.781 1.00 0.00 H new ATOM 0 HB3 ALA B 126 3.798 20.982 -25.067 1.00 0.00 H new ATOM 1038 N TYR B 127 5.790 19.759 -26.627 1.00 0.00 N ATOM 1039 CA TYR B 127 7.226 19.547 -26.769 1.00 0.00 C ATOM 1040 C TYR B 127 7.575 19.136 -28.196 1.00 0.00 C ATOM 1041 O TYR B 127 8.570 19.594 -28.760 1.00 0.00 O ATOM 1042 CB TYR B 127 7.705 18.478 -25.787 1.00 0.00 C ATOM 1043 CG TYR B 127 9.032 17.859 -26.165 1.00 0.00 C ATOM 1044 CD1 TYR B 127 9.090 16.733 -26.977 1.00 0.00 C ATOM 1045 CD2 TYR B 127 10.228 18.400 -25.710 1.00 0.00 C ATOM 1046 CE1 TYR B 127 10.300 16.164 -27.324 1.00 0.00 C ATOM 1047 CE2 TYR B 127 11.442 17.839 -26.054 1.00 0.00 C ATOM 1048 CZ TYR B 127 11.473 16.721 -26.861 1.00 0.00 C ATOM 1049 OH TYR B 127 12.681 16.158 -27.203 1.00 0.00 O ATOM 0 H TYR B 127 5.363 19.250 -25.853 1.00 0.00 H new ATOM 0 HA TYR B 127 7.731 20.487 -26.546 1.00 0.00 H new ATOM 0 HB2 TYR B 127 7.790 18.920 -24.794 1.00 0.00 H new ATOM 0 HB3 TYR B 127 6.952 17.692 -25.723 1.00 0.00 H new ATOM 0 HD1 TYR B 127 8.173 16.295 -27.343 1.00 0.00 H new ATOM 0 HD2 TYR B 127 10.208 19.274 -25.076 1.00 0.00 H new ATOM 0 HE1 TYR B 127 10.327 15.288 -27.955 1.00 0.00 H new ATOM 0 HE2 TYR B 127 12.362 18.273 -25.693 1.00 0.00 H new ATOM 0 HH TYR B 127 13.409 16.672 -26.795 1.00 0.00 H new ATOM 1059 N ILE B 128 6.750 18.271 -28.775 1.00 0.00 N ATOM 1060 CA ILE B 128 6.971 17.799 -30.137 1.00 0.00 C ATOM 1061 C ILE B 128 6.832 18.937 -31.142 1.00 0.00 C ATOM 1062 O ILE B 128 7.723 19.170 -31.959 1.00 0.00 O ATOM 1063 CB ILE B 128 5.985 16.676 -30.510 1.00 0.00 C ATOM 1064 CG1 ILE B 128 6.145 15.490 -29.557 1.00 0.00 C ATOM 1065 CG2 ILE B 128 6.202 16.238 -31.951 1.00 0.00 C ATOM 1066 CD1 ILE B 128 4.854 14.746 -29.297 1.00 0.00 C ATOM 0 H ILE B 128 5.922 17.882 -28.323 1.00 0.00 H new ATOM 0 HA ILE B 128 7.987 17.407 -30.175 1.00 0.00 H new ATOM 0 HB ILE B 128 4.969 17.059 -30.416 1.00 0.00 H new ATOM 0 HG12 ILE B 128 6.877 14.797 -29.972 1.00 0.00 H new ATOM 0 HG13 ILE B 128 6.546 15.848 -28.609 1.00 0.00 H new ATOM 0 HG21 ILE B 128 5.498 15.444 -32.200 1.00 0.00 H new ATOM 0 HG22 ILE B 128 6.043 17.086 -32.617 1.00 0.00 H new ATOM 0 HG23 ILE B 128 7.221 15.870 -32.070 1.00 0.00 H new ATOM 0 HD11 ILE B 128 5.042 13.918 -28.613 1.00 0.00 H new ATOM 0 HD12 ILE B 128 4.126 15.425 -28.853 1.00 0.00 H new ATOM 0 HD13 ILE B 128 4.462 14.358 -30.237 1.00 0.00 H new ATOM 1078 N ALA B 129 5.708 19.644 -31.075 1.00 0.00 N ATOM 1079 CA ALA B 129 5.454 20.761 -31.977 1.00 0.00 C ATOM 1080 C ALA B 129 6.605 21.761 -31.951 1.00 0.00 C ATOM 1081 O ALA B 129 6.978 22.320 -32.983 1.00 0.00 O ATOM 1082 CB ALA B 129 4.146 21.448 -31.611 1.00 0.00 C ATOM 0 H ALA B 129 4.960 19.463 -30.406 1.00 0.00 H new ATOM 0 HA ALA B 129 5.373 20.367 -32.990 1.00 0.00 H new ATOM 0 HB1 ALA B 129 3.969 22.280 -32.293 1.00 0.00 H new ATOM 0 HB2 ALA B 129 3.326 20.734 -31.689 1.00 0.00 H new ATOM 0 HB3 ALA B 129 4.205 21.822 -30.589 1.00 0.00 H new ATOM 1088 N PHE B 130 7.164 21.982 -30.766 1.00 0.00 N ATOM 1089 CA PHE B 130 8.272 22.916 -30.606 1.00 0.00 C ATOM 1090 C PHE B 130 9.552 22.352 -31.216 1.00 0.00 C ATOM 1091 O PHE B 130 10.212 23.010 -32.020 1.00 0.00 O ATOM 1092 CB PHE B 130 8.494 23.228 -29.125 1.00 0.00 C ATOM 1093 CG PHE B 130 9.326 24.456 -28.888 1.00 0.00 C ATOM 1094 CD1 PHE B 130 10.682 24.455 -29.172 1.00 0.00 C ATOM 1095 CD2 PHE B 130 8.751 25.611 -28.381 1.00 0.00 C ATOM 1096 CE1 PHE B 130 11.450 25.584 -28.956 1.00 0.00 C ATOM 1097 CE2 PHE B 130 9.515 26.742 -28.164 1.00 0.00 C ATOM 1098 CZ PHE B 130 10.866 26.729 -28.450 1.00 0.00 C ATOM 0 H PHE B 130 6.868 21.527 -29.902 1.00 0.00 H new ATOM 0 HA PHE B 130 8.016 23.837 -31.130 1.00 0.00 H new ATOM 0 HB2 PHE B 130 7.526 23.356 -28.640 1.00 0.00 H new ATOM 0 HB3 PHE B 130 8.978 22.374 -28.651 1.00 0.00 H new ATOM 0 HD1 PHE B 130 11.144 23.562 -29.567 1.00 0.00 H new ATOM 0 HD2 PHE B 130 7.695 25.627 -28.153 1.00 0.00 H new ATOM 0 HE1 PHE B 130 12.506 25.571 -29.183 1.00 0.00 H new ATOM 0 HE2 PHE B 130 9.055 27.637 -27.771 1.00 0.00 H new ATOM 0 HZ PHE B 130 11.464 27.612 -28.279 1.00 0.00 H new ATOM 1108 N LYS B 131 9.896 21.129 -30.828 1.00 0.00 N ATOM 1109 CA LYS B 131 11.096 20.475 -31.335 1.00 0.00 C ATOM 1110 C LYS B 131 11.114 20.480 -32.861 1.00 0.00 C ATOM 1111 O LYS B 131 12.066 20.960 -33.477 1.00 0.00 O ATOM 1112 CB LYS B 131 11.174 19.036 -30.819 1.00 0.00 C ATOM 1113 CG LYS B 131 12.544 18.653 -30.286 1.00 0.00 C ATOM 1114 CD LYS B 131 13.626 18.860 -31.333 1.00 0.00 C ATOM 1115 CE LYS B 131 14.989 18.426 -30.817 1.00 0.00 C ATOM 1116 NZ LYS B 131 15.200 16.959 -30.976 1.00 0.00 N1+ ATOM 0 H LYS B 131 9.360 20.570 -30.164 1.00 0.00 H new ATOM 0 HA LYS B 131 11.962 21.031 -30.976 1.00 0.00 H new ATOM 0 HB2 LYS B 131 10.436 18.902 -30.028 1.00 0.00 H new ATOM 0 HB3 LYS B 131 10.904 18.355 -31.626 1.00 0.00 H new ATOM 0 HG2 LYS B 131 12.772 19.250 -29.403 1.00 0.00 H new ATOM 0 HG3 LYS B 131 12.535 17.609 -29.972 1.00 0.00 H new ATOM 0 HD2 LYS B 131 13.378 18.294 -32.231 1.00 0.00 H new ATOM 0 HD3 LYS B 131 13.661 19.911 -31.619 1.00 0.00 H new ATOM 0 HE2 LYS B 131 15.769 18.966 -31.354 1.00 0.00 H new ATOM 0 HE3 LYS B 131 15.082 18.695 -29.765 1.00 0.00 H new ATOM 0 HZ1 LYS B 131 16.140 16.702 -30.613 1.00 0.00 H new ATOM 0 HZ2 LYS B 131 14.470 16.444 -30.443 1.00 0.00 H new ATOM 0 HZ3 LYS B 131 15.137 16.706 -31.983 1.00 0.00 H new ATOM 1130 N ARG B 132 10.058 19.945 -33.463 1.00 0.00 N ATOM 1131 CA ARG B 132 9.953 19.889 -34.916 1.00 0.00 C ATOM 1132 C ARG B 132 10.045 21.287 -35.522 1.00 0.00 C ATOM 1133 O ARG B 132 10.644 21.476 -36.581 1.00 0.00 O ATOM 1134 CB ARG B 132 8.637 19.228 -35.330 1.00 0.00 C ATOM 1135 CG ARG B 132 8.565 17.749 -34.987 1.00 0.00 C ATOM 1136 CD ARG B 132 9.523 16.932 -35.840 1.00 0.00 C ATOM 1137 NE ARG B 132 9.092 15.543 -35.969 1.00 0.00 N ATOM 1138 CZ ARG B 132 9.810 14.604 -36.574 1.00 0.00 C ATOM 1139 NH1 ARG B 132 10.989 14.904 -37.104 1.00 0.00 N1+ ATOM 1140 NH2 ARG B 132 9.351 13.362 -36.652 1.00 0.00 N ATOM 0 H ARG B 132 9.262 19.544 -32.967 1.00 0.00 H new ATOM 0 HA ARG B 132 10.784 19.293 -35.292 1.00 0.00 H new ATOM 0 HB2 ARG B 132 7.811 19.746 -34.843 1.00 0.00 H new ATOM 0 HB3 ARG B 132 8.501 19.350 -36.405 1.00 0.00 H new ATOM 0 HG2 ARG B 132 8.803 17.607 -33.933 1.00 0.00 H new ATOM 0 HG3 ARG B 132 7.547 17.389 -35.135 1.00 0.00 H new ATOM 0 HD2 ARG B 132 9.600 17.381 -36.830 1.00 0.00 H new ATOM 0 HD3 ARG B 132 10.519 16.963 -35.398 1.00 0.00 H new ATOM 0 HE ARG B 132 8.190 15.279 -35.573 1.00 0.00 H new ATOM 0 HH11 ARG B 132 11.346 15.858 -37.047 1.00 0.00 H new ATOM 0 HH12 ARG B 132 11.538 14.181 -37.568 1.00 0.00 H new ATOM 0 HH21 ARG B 132 8.445 13.127 -36.247 1.00 0.00 H new ATOM 0 HH22 ARG B 132 9.904 12.642 -37.117 1.00 0.00 H new