USER MOD reduce.3.24.130724 H: found=0, std=0, add=371, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 372 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 70 THR OG1 : rot 74:sc= 1.28 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 141 N PRO A 51 -11.938 -10.061 2.306 1.00 0.00 N ATOM 142 CA PRO A 51 -12.500 -10.379 3.622 1.00 0.00 C ATOM 143 C PRO A 51 -13.172 -9.174 4.271 1.00 0.00 C ATOM 144 O PRO A 51 -14.258 -9.288 4.842 1.00 0.00 O ATOM 145 CB PRO A 51 -11.278 -10.812 4.435 1.00 0.00 C ATOM 146 CG PRO A 51 -10.126 -10.133 3.779 1.00 0.00 C ATOM 147 CD PRO A 51 -10.465 -10.064 2.315 1.00 0.00 C ATOM 0 HA PRO A 51 -13.278 -11.140 3.560 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.371 -10.513 5.479 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.158 -11.895 4.423 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -9.974 -9.136 4.192 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.202 -10.689 3.940 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.058 -9.166 1.850 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.061 -10.916 1.768 1.00 0.00 H new ATOM 155 N LEU A 52 -12.522 -8.019 4.180 1.00 0.00 N ATOM 156 CA LEU A 52 -13.057 -6.792 4.759 1.00 0.00 C ATOM 157 C LEU A 52 -14.489 -6.549 4.292 1.00 0.00 C ATOM 158 O LEU A 52 -15.432 -6.639 5.079 1.00 0.00 O ATOM 159 CB LEU A 52 -12.176 -5.600 4.381 1.00 0.00 C ATOM 160 CG LEU A 52 -12.639 -4.235 4.891 1.00 0.00 C ATOM 161 CD1 LEU A 52 -12.630 -4.201 6.411 1.00 0.00 C ATOM 162 CD2 LEU A 52 -11.759 -3.129 4.326 1.00 0.00 C ATOM 0 H LEU A 52 -11.623 -7.907 3.711 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.062 -6.903 5.843 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.170 -5.784 4.757 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.107 -5.555 3.294 1.00 0.00 H new ATOM 0 HG LEU A 52 -13.661 -4.069 4.551 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -12.962 -3.222 6.755 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -13.302 -4.968 6.796 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.619 -4.389 6.773 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.103 -2.164 4.699 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.727 -3.291 4.636 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.817 -3.138 3.238 1.00 0.00 H new ATOM 174 N ILE A 53 -14.643 -6.243 3.009 1.00 0.00 N ATOM 175 CA ILE A 53 -15.960 -5.990 2.437 1.00 0.00 C ATOM 176 C ILE A 53 -16.905 -7.158 2.698 1.00 0.00 C ATOM 177 O ILE A 53 -18.049 -6.963 3.109 1.00 0.00 O ATOM 178 CB ILE A 53 -15.876 -5.741 0.919 1.00 0.00 C ATOM 179 CG1 ILE A 53 -14.880 -4.620 0.618 1.00 0.00 C ATOM 180 CG2 ILE A 53 -17.250 -5.400 0.362 1.00 0.00 C ATOM 181 CD1 ILE A 53 -14.750 -4.307 -0.856 1.00 0.00 C ATOM 0 H ILE A 53 -13.872 -6.164 2.345 1.00 0.00 H new ATOM 0 HA ILE A 53 -16.349 -5.095 2.922 1.00 0.00 H new ATOM 0 HB ILE A 53 -15.525 -6.652 0.435 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -15.189 -3.718 1.147 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -13.902 -4.899 1.010 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -17.175 -5.227 -0.711 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -17.934 -6.228 0.549 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -17.627 -4.501 0.849 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -14.027 -3.503 -0.995 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -14.411 -5.196 -1.388 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -15.718 -3.997 -1.249 1.00 0.00 H new ATOM 193 N ALA A 54 -16.419 -8.371 2.458 1.00 0.00 N ATOM 194 CA ALA A 54 -17.219 -9.571 2.671 1.00 0.00 C ATOM 195 C ALA A 54 -17.834 -9.580 4.066 1.00 0.00 C ATOM 196 O ALA A 54 -19.056 -9.570 4.217 1.00 0.00 O ATOM 197 CB ALA A 54 -16.371 -10.816 2.458 1.00 0.00 C ATOM 0 H ALA A 54 -15.475 -8.549 2.116 1.00 0.00 H new ATOM 0 HA ALA A 54 -18.031 -9.570 1.944 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -16.982 -11.704 2.620 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -15.984 -10.823 1.439 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -15.539 -10.814 3.162 1.00 0.00 H new ATOM 203 N ALA A 55 -16.980 -9.599 5.084 1.00 0.00 N ATOM 204 CA ALA A 55 -17.440 -9.608 6.468 1.00 0.00 C ATOM 205 C ALA A 55 -18.443 -8.487 6.720 1.00 0.00 C ATOM 206 O ALA A 55 -19.357 -8.630 7.531 1.00 0.00 O ATOM 207 CB ALA A 55 -16.258 -9.486 7.418 1.00 0.00 C ATOM 0 H ALA A 55 -15.966 -9.608 4.977 1.00 0.00 H new ATOM 0 HA ALA A 55 -17.943 -10.558 6.652 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.616 -9.494 8.447 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -15.579 -10.325 7.264 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.731 -8.552 7.225 1.00 0.00 H new ATOM 213 N GLY A 56 -18.265 -7.371 6.020 1.00 0.00 N ATOM 214 CA GLY A 56 -19.161 -6.242 6.183 1.00 0.00 C ATOM 215 C GLY A 56 -20.596 -6.586 5.837 1.00 0.00 C ATOM 216 O GLY A 56 -21.496 -6.432 6.663 1.00 0.00 O ATOM 0 H GLY A 56 -17.516 -7.229 5.343 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -19.113 -5.890 7.214 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.825 -5.421 5.550 1.00 0.00 H new ATOM 220 N VAL A 57 -20.812 -7.051 4.610 1.00 0.00 N ATOM 221 CA VAL A 57 -22.148 -7.417 4.156 1.00 0.00 C ATOM 222 C VAL A 57 -22.697 -8.594 4.954 1.00 0.00 C ATOM 223 O VAL A 57 -23.889 -8.651 5.255 1.00 0.00 O ATOM 224 CB VAL A 57 -22.152 -7.780 2.659 1.00 0.00 C ATOM 225 CG1 VAL A 57 -23.576 -7.969 2.158 1.00 0.00 C ATOM 226 CG2 VAL A 57 -21.432 -6.711 1.850 1.00 0.00 C ATOM 0 H VAL A 57 -20.079 -7.183 3.913 1.00 0.00 H new ATOM 0 HA VAL A 57 -22.785 -6.547 4.313 1.00 0.00 H new ATOM 0 HB VAL A 57 -21.619 -8.722 2.531 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -23.558 -8.225 1.099 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -24.055 -8.773 2.717 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -24.137 -7.045 2.299 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -21.444 -6.983 0.795 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -21.935 -5.753 1.983 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -20.400 -6.629 2.192 1.00 0.00 H new ATOM 236 N ILE A 58 -21.819 -9.532 5.294 1.00 0.00 N ATOM 237 CA ILE A 58 -22.216 -10.708 6.059 1.00 0.00 C ATOM 238 C ILE A 58 -22.673 -10.322 7.461 1.00 0.00 C ATOM 239 O ILE A 58 -23.720 -10.768 7.929 1.00 0.00 O ATOM 240 CB ILE A 58 -21.063 -11.723 6.168 1.00 0.00 C ATOM 241 CG1 ILE A 58 -20.696 -12.262 4.783 1.00 0.00 C ATOM 242 CG2 ILE A 58 -21.447 -12.862 7.100 1.00 0.00 C ATOM 243 CD1 ILE A 58 -19.495 -13.181 4.792 1.00 0.00 C ATOM 0 H ILE A 58 -20.829 -9.501 5.052 1.00 0.00 H new ATOM 0 HA ILE A 58 -23.046 -11.169 5.523 1.00 0.00 H new ATOM 0 HB ILE A 58 -20.191 -11.217 6.583 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -21.551 -12.799 4.372 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -20.496 -11.423 4.116 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -20.622 -13.571 7.167 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -21.664 -12.464 8.091 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -22.330 -13.368 6.711 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -19.292 -13.525 3.778 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -18.627 -12.642 5.172 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -19.698 -14.039 5.432 1.00 0.00 H new ATOM 255 N GLY A 59 -21.880 -9.488 8.128 1.00 0.00 N ATOM 256 CA GLY A 59 -22.221 -9.055 9.471 1.00 0.00 C ATOM 257 C GLY A 59 -23.579 -8.384 9.536 1.00 0.00 C ATOM 258 O GLY A 59 -24.426 -8.758 10.347 1.00 0.00 O ATOM 0 H GLY A 59 -21.008 -9.105 7.762 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -22.212 -9.915 10.140 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -21.460 -8.363 9.831 1.00 0.00 H new ATOM 262 N GLY A 60 -23.787 -7.388 8.680 1.00 0.00 N ATOM 263 CA GLY A 60 -25.053 -6.678 8.661 1.00 0.00 C ATOM 264 C GLY A 60 -26.232 -7.601 8.425 1.00 0.00 C ATOM 265 O GLY A 60 -27.270 -7.474 9.077 1.00 0.00 O ATOM 0 H GLY A 60 -23.102 -7.060 7.999 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -25.188 -6.157 9.609 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -25.028 -5.918 7.880 1.00 0.00 H new ATOM 269 N LEU A 61 -26.075 -8.532 7.491 1.00 0.00 N ATOM 270 CA LEU A 61 -27.136 -9.480 7.169 1.00 0.00 C ATOM 271 C LEU A 61 -27.373 -10.446 8.325 1.00 0.00 C ATOM 272 O LEU A 61 -28.481 -10.537 8.855 1.00 0.00 O ATOM 273 CB LEU A 61 -26.783 -10.260 5.902 1.00 0.00 C ATOM 274 CG LEU A 61 -26.929 -9.500 4.583 1.00 0.00 C ATOM 275 CD1 LEU A 61 -26.297 -10.284 3.443 1.00 0.00 C ATOM 276 CD2 LEU A 61 -28.395 -9.216 4.290 1.00 0.00 C ATOM 0 H LEU A 61 -25.223 -8.651 6.943 1.00 0.00 H new ATOM 0 HA LEU A 61 -28.053 -8.916 6.997 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -25.753 -10.605 5.987 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -27.414 -11.148 5.858 1.00 0.00 H new ATOM 0 HG LEU A 61 -26.407 -8.547 4.675 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -26.410 -9.728 2.512 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -25.237 -10.435 3.649 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -26.790 -11.252 3.350 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -28.479 -8.675 3.348 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -28.941 -10.157 4.218 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -28.817 -8.613 5.094 1.00 0.00 H new ATOM 288 N PHE A 62 -26.324 -11.164 8.714 1.00 0.00 N ATOM 289 CA PHE A 62 -26.418 -12.123 9.808 1.00 0.00 C ATOM 290 C PHE A 62 -27.035 -11.477 11.046 1.00 0.00 C ATOM 291 O PHE A 62 -28.034 -11.962 11.578 1.00 0.00 O ATOM 292 CB PHE A 62 -25.033 -12.679 10.147 1.00 0.00 C ATOM 293 CG PHE A 62 -25.053 -13.720 11.229 1.00 0.00 C ATOM 294 CD1 PHE A 62 -26.012 -14.720 11.230 1.00 0.00 C ATOM 295 CD2 PHE A 62 -24.113 -13.698 12.247 1.00 0.00 C ATOM 296 CE1 PHE A 62 -26.033 -15.679 12.225 1.00 0.00 C ATOM 297 CE2 PHE A 62 -24.128 -14.655 13.244 1.00 0.00 C ATOM 298 CZ PHE A 62 -25.091 -15.646 13.233 1.00 0.00 C ATOM 0 H PHE A 62 -25.400 -11.100 8.288 1.00 0.00 H new ATOM 0 HA PHE A 62 -27.062 -12.941 9.486 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -24.593 -13.110 9.248 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -24.386 -11.858 10.456 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -26.752 -14.750 10.444 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -23.360 -12.924 12.261 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -26.786 -16.453 12.214 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -23.388 -14.628 14.030 1.00 0.00 H new ATOM 0 HZ PHE A 62 -25.106 -16.394 14.012 1.00 0.00 H new ATOM 308 N ILE A 63 -26.432 -10.382 11.497 1.00 0.00 N ATOM 309 CA ILE A 63 -26.923 -9.670 12.670 1.00 0.00 C ATOM 310 C ILE A 63 -28.408 -9.349 12.538 1.00 0.00 C ATOM 311 O ILE A 63 -29.178 -9.524 13.483 1.00 0.00 O ATOM 312 CB ILE A 63 -26.145 -8.361 12.900 1.00 0.00 C ATOM 313 CG1 ILE A 63 -24.695 -8.664 13.284 1.00 0.00 C ATOM 314 CG2 ILE A 63 -26.820 -7.525 13.977 1.00 0.00 C ATOM 315 CD1 ILE A 63 -24.555 -9.329 14.636 1.00 0.00 C ATOM 0 H ILE A 63 -25.604 -9.969 11.068 1.00 0.00 H new ATOM 0 HA ILE A 63 -26.771 -10.329 13.525 1.00 0.00 H new ATOM 0 HB ILE A 63 -26.143 -7.789 11.972 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -24.253 -9.308 12.524 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -24.126 -7.734 13.284 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -26.258 -6.603 14.128 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -27.837 -7.284 13.666 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -26.850 -8.088 14.910 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -23.501 -9.514 14.843 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -24.967 -8.677 15.406 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -25.096 -10.275 14.634 1.00 0.00 H new ATOM 327 N LEU A 64 -28.803 -8.880 11.360 1.00 0.00 N ATOM 328 CA LEU A 64 -30.197 -8.536 11.102 1.00 0.00 C ATOM 329 C LEU A 64 -31.081 -9.779 11.140 1.00 0.00 C ATOM 330 O LEU A 64 -32.214 -9.733 11.618 1.00 0.00 O ATOM 331 CB LEU A 64 -30.329 -7.844 9.744 1.00 0.00 C ATOM 332 CG LEU A 64 -29.872 -6.386 9.687 1.00 0.00 C ATOM 333 CD1 LEU A 64 -29.722 -5.930 8.244 1.00 0.00 C ATOM 334 CD2 LEU A 64 -30.852 -5.491 10.432 1.00 0.00 C ATOM 0 H LEU A 64 -28.178 -8.729 10.568 1.00 0.00 H new ATOM 0 HA LEU A 64 -30.528 -7.853 11.885 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -29.756 -8.412 9.012 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -31.374 -7.889 9.436 1.00 0.00 H new ATOM 0 HG LEU A 64 -28.899 -6.310 10.173 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -29.396 -4.890 8.223 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -28.982 -6.552 7.741 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -30.680 -6.020 7.732 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -30.511 -4.457 10.381 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -31.838 -5.571 9.974 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -30.910 -5.803 11.475 1.00 0.00 H new ATOM 346 N VAL A 65 -30.553 -10.890 10.635 1.00 0.00 N ATOM 347 CA VAL A 65 -31.292 -12.146 10.614 1.00 0.00 C ATOM 348 C VAL A 65 -31.734 -12.548 12.017 1.00 0.00 C ATOM 349 O VAL A 65 -32.892 -12.903 12.236 1.00 0.00 O ATOM 350 CB VAL A 65 -30.449 -13.284 10.008 1.00 0.00 C ATOM 351 CG1 VAL A 65 -31.208 -14.601 10.065 1.00 0.00 C ATOM 352 CG2 VAL A 65 -30.053 -12.949 8.578 1.00 0.00 C ATOM 0 H VAL A 65 -29.616 -10.945 10.235 1.00 0.00 H new ATOM 0 HA VAL A 65 -32.172 -11.984 9.991 1.00 0.00 H new ATOM 0 HB VAL A 65 -29.539 -13.392 10.598 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -30.596 -15.393 9.632 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -31.436 -14.845 11.103 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -32.136 -14.511 9.501 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -29.458 -13.763 8.165 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -30.950 -12.813 7.974 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -29.467 -12.030 8.569 1.00 0.00 H new ATOM 362 N ILE A 66 -30.803 -12.488 12.963 1.00 0.00 N ATOM 363 CA ILE A 66 -31.097 -12.844 14.346 1.00 0.00 C ATOM 364 C ILE A 66 -32.117 -11.888 14.955 1.00 0.00 C ATOM 365 O ILE A 66 -33.173 -12.309 15.428 1.00 0.00 O ATOM 366 CB ILE A 66 -29.823 -12.837 15.212 1.00 0.00 C ATOM 367 CG1 ILE A 66 -28.756 -13.745 14.596 1.00 0.00 C ATOM 368 CG2 ILE A 66 -30.146 -13.278 16.632 1.00 0.00 C ATOM 369 CD1 ILE A 66 -27.485 -13.016 14.223 1.00 0.00 C ATOM 0 H ILE A 66 -29.840 -12.197 12.798 1.00 0.00 H new ATOM 0 HA ILE A 66 -31.511 -13.852 14.331 1.00 0.00 H new ATOM 0 HB ILE A 66 -29.431 -11.820 15.248 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -28.516 -14.540 15.302 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -29.166 -14.222 13.706 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -29.236 -13.268 17.232 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -30.876 -12.595 17.068 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -30.558 -14.287 16.615 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -26.774 -13.721 13.793 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -27.712 -12.239 13.493 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -27.051 -12.562 15.114 1.00 0.00 H new ATOM 381 N VAL A 67 -31.795 -10.599 14.938 1.00 0.00 N ATOM 382 CA VAL A 67 -32.684 -9.581 15.486 1.00 0.00 C ATOM 383 C VAL A 67 -34.080 -9.690 14.883 1.00 0.00 C ATOM 384 O VAL A 67 -35.073 -9.792 15.603 1.00 0.00 O ATOM 385 CB VAL A 67 -32.137 -8.164 15.235 1.00 0.00 C ATOM 386 CG1 VAL A 67 -33.001 -7.126 15.937 1.00 0.00 C ATOM 387 CG2 VAL A 67 -30.690 -8.063 15.692 1.00 0.00 C ATOM 0 H VAL A 67 -30.925 -10.234 14.551 1.00 0.00 H new ATOM 0 HA VAL A 67 -32.741 -9.755 16.561 1.00 0.00 H new ATOM 0 HB VAL A 67 -32.170 -7.965 14.164 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -32.599 -6.130 15.748 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -34.021 -7.184 15.556 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -33.003 -7.319 17.010 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -30.320 -7.055 15.507 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -30.629 -8.282 16.758 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -30.083 -8.780 15.139 1.00 0.00 H new ATOM 397 N GLY A 68 -34.149 -9.668 13.555 1.00 0.00 N ATOM 398 CA GLY A 68 -35.429 -9.765 12.877 1.00 0.00 C ATOM 399 C GLY A 68 -36.244 -10.954 13.346 1.00 0.00 C ATOM 400 O GLY A 68 -37.368 -10.796 13.823 1.00 0.00 O ATOM 0 H GLY A 68 -33.342 -9.585 12.937 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -35.997 -8.850 13.046 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -35.263 -9.843 11.803 1.00 0.00 H new ATOM 404 N LEU A 69 -35.679 -12.148 13.208 1.00 0.00 N ATOM 405 CA LEU A 69 -36.362 -13.370 13.619 1.00 0.00 C ATOM 406 C LEU A 69 -36.749 -13.308 15.093 1.00 0.00 C ATOM 407 O LEU A 69 -37.868 -13.661 15.468 1.00 0.00 O ATOM 408 CB LEU A 69 -35.469 -14.587 13.366 1.00 0.00 C ATOM 409 CG LEU A 69 -35.336 -15.030 11.908 1.00 0.00 C ATOM 410 CD1 LEU A 69 -34.421 -16.239 11.800 1.00 0.00 C ATOM 411 CD2 LEU A 69 -36.704 -15.340 11.318 1.00 0.00 C ATOM 0 H LEU A 69 -34.750 -12.296 12.815 1.00 0.00 H new ATOM 0 HA LEU A 69 -37.272 -13.465 13.027 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -34.473 -14.368 13.751 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -35.857 -15.425 13.945 1.00 0.00 H new ATOM 0 HG LEU A 69 -34.894 -14.213 11.338 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -34.338 -16.540 10.756 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -33.433 -15.983 12.183 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -34.835 -17.062 12.383 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -36.590 -15.654 10.280 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -37.174 -16.141 11.889 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -37.329 -14.448 11.361 1.00 0.00 H new ATOM 423 N THR A 70 -35.818 -12.854 15.926 1.00 0.00 N ATOM 424 CA THR A 70 -36.062 -12.744 17.358 1.00 0.00 C ATOM 425 C THR A 70 -37.350 -11.978 17.640 1.00 0.00 C ATOM 426 O THR A 70 -38.086 -12.302 18.572 1.00 0.00 O ATOM 427 CB THR A 70 -34.894 -12.041 18.075 1.00 0.00 C ATOM 428 OG1 THR A 70 -33.715 -12.850 18.000 1.00 0.00 O ATOM 429 CG2 THR A 70 -35.237 -11.769 19.532 1.00 0.00 C ATOM 0 H THR A 70 -34.887 -12.556 15.633 1.00 0.00 H new ATOM 0 HA THR A 70 -36.155 -13.760 17.741 1.00 0.00 H new ATOM 0 HB THR A 70 -34.713 -11.088 17.578 1.00 0.00 H new ATOM 0 HG1 THR A 70 -33.346 -12.808 17.093 1.00 0.00 H new ATOM 0 HG21 THR A 70 -34.397 -11.272 20.017 1.00 0.00 H new ATOM 0 HG22 THR A 70 -36.117 -11.128 19.585 1.00 0.00 H new ATOM 0 HG23 THR A 70 -35.443 -12.711 20.039 1.00 0.00 H new ATOM 437 N PHE A 71 -37.618 -10.962 16.827 1.00 0.00 N ATOM 438 CA PHE A 71 -38.818 -10.149 16.989 1.00 0.00 C ATOM 439 C PHE A 71 -40.063 -10.930 16.577 1.00 0.00 C ATOM 440 O PHE A 71 -41.057 -10.962 17.302 1.00 0.00 O ATOM 441 CB PHE A 71 -38.708 -8.868 16.160 1.00 0.00 C ATOM 442 CG PHE A 71 -39.814 -7.886 16.424 1.00 0.00 C ATOM 443 CD1 PHE A 71 -39.722 -6.986 17.473 1.00 0.00 C ATOM 444 CD2 PHE A 71 -40.945 -7.864 15.624 1.00 0.00 C ATOM 445 CE1 PHE A 71 -40.738 -6.081 17.719 1.00 0.00 C ATOM 446 CE2 PHE A 71 -41.963 -6.961 15.865 1.00 0.00 C ATOM 447 CZ PHE A 71 -41.860 -6.069 16.914 1.00 0.00 C ATOM 0 H PHE A 71 -37.021 -10.682 16.049 1.00 0.00 H new ATOM 0 HA PHE A 71 -38.908 -9.884 18.043 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -37.751 -8.390 16.370 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -38.709 -9.128 15.102 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -38.847 -6.991 18.106 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -41.032 -8.560 14.803 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -40.654 -5.384 18.540 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -42.839 -6.953 15.233 1.00 0.00 H new ATOM 0 HZ PHE A 71 -42.655 -5.363 17.104 1.00 0.00 H new ATOM 457 N ALA A 72 -40.000 -11.557 15.407 1.00 0.00 N ATOM 458 CA ALA A 72 -41.120 -12.339 14.898 1.00 0.00 C ATOM 459 C ALA A 72 -41.396 -13.547 15.787 1.00 0.00 C ATOM 460 O ALA A 72 -42.516 -14.055 15.830 1.00 0.00 O ATOM 461 CB ALA A 72 -40.847 -12.784 13.469 1.00 0.00 C ATOM 0 H ALA A 72 -39.185 -11.539 14.794 1.00 0.00 H new ATOM 0 HA ALA A 72 -42.007 -11.705 14.906 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -41.692 -13.367 13.102 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -40.708 -11.908 12.835 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -39.946 -13.396 13.445 1.00 0.00 H new ATOM 467 N VAL A 73 -40.367 -14.002 16.494 1.00 0.00 N ATOM 468 CA VAL A 73 -40.498 -15.150 17.383 1.00 0.00 C ATOM 469 C VAL A 73 -41.063 -14.735 18.737 1.00 0.00 C ATOM 470 O VAL A 73 -41.972 -15.376 19.265 1.00 0.00 O ATOM 471 CB VAL A 73 -39.144 -15.852 17.597 1.00 0.00 C ATOM 472 CG1 VAL A 73 -39.288 -17.001 18.583 1.00 0.00 C ATOM 473 CG2 VAL A 73 -38.584 -16.344 16.271 1.00 0.00 C ATOM 0 H VAL A 73 -39.433 -13.593 16.468 1.00 0.00 H new ATOM 0 HA VAL A 73 -41.187 -15.845 16.903 1.00 0.00 H new ATOM 0 HB VAL A 73 -38.443 -15.131 18.017 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -38.321 -17.485 18.721 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -39.642 -16.617 19.540 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -40.004 -17.726 18.195 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -37.627 -16.837 16.441 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -39.282 -17.050 15.821 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -38.441 -15.497 15.600 1.00 0.00 H new ATOM 483 N TYR A 74 -40.519 -13.659 19.294 1.00 0.00 N ATOM 484 CA TYR A 74 -40.967 -13.159 20.588 1.00 0.00 C ATOM 485 C TYR A 74 -42.461 -12.852 20.566 1.00 0.00 C ATOM 486 O TYR A 74 -43.184 -13.159 21.514 1.00 0.00 O ATOM 487 CB TYR A 74 -40.182 -11.903 20.973 1.00 0.00 C ATOM 488 CG TYR A 74 -40.318 -11.527 22.431 1.00 0.00 C ATOM 489 CD1 TYR A 74 -39.461 -12.056 23.388 1.00 0.00 C ATOM 490 CD2 TYR A 74 -41.304 -10.643 22.852 1.00 0.00 C ATOM 491 CE1 TYR A 74 -39.582 -11.716 24.721 1.00 0.00 C ATOM 492 CE2 TYR A 74 -41.431 -10.296 24.183 1.00 0.00 C ATOM 493 CZ TYR A 74 -40.568 -10.835 25.114 1.00 0.00 C ATOM 494 OH TYR A 74 -40.692 -10.493 26.441 1.00 0.00 O ATOM 0 H TYR A 74 -39.767 -13.116 18.870 1.00 0.00 H new ATOM 0 HA TYR A 74 -40.785 -13.935 21.331 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -39.128 -12.059 20.744 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -40.522 -11.070 20.358 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -38.687 -12.745 23.084 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -41.983 -10.220 22.126 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -38.908 -12.138 25.452 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -42.202 -9.606 24.493 1.00 0.00 H new ATOM 0 HH TYR A 74 -41.434 -9.862 26.548 1.00 0.00 H new ATOM 504 N VAL A 75 -42.917 -12.244 19.476 1.00 0.00 N ATOM 505 CA VAL A 75 -44.325 -11.896 19.327 1.00 0.00 C ATOM 506 C VAL A 75 -45.192 -13.146 19.225 1.00 0.00 C ATOM 507 O VAL A 75 -46.222 -13.256 19.892 1.00 0.00 O ATOM 508 CB VAL A 75 -44.559 -11.020 18.082 1.00 0.00 C ATOM 509 CG1 VAL A 75 -46.044 -10.765 17.879 1.00 0.00 C ATOM 510 CG2 VAL A 75 -43.796 -9.710 18.203 1.00 0.00 C ATOM 0 H VAL A 75 -42.332 -11.982 18.683 1.00 0.00 H new ATOM 0 HA VAL A 75 -44.607 -11.333 20.216 1.00 0.00 H new ATOM 0 HB VAL A 75 -44.185 -11.553 17.208 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -46.189 -10.144 16.995 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -46.561 -11.715 17.744 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -46.448 -10.252 18.752 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -43.972 -9.103 17.315 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -44.138 -9.170 19.086 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -42.730 -9.917 18.295 1.00 0.00 H new ATOM 520 N ARG A 76 -44.769 -14.086 18.386 1.00 0.00 N ATOM 521 CA ARG A 76 -45.508 -15.329 18.196 1.00 0.00 C ATOM 522 C ARG A 76 -45.767 -16.017 19.533 1.00 0.00 C ATOM 523 O ARG A 76 -46.818 -16.625 19.737 1.00 0.00 O ATOM 524 CB ARG A 76 -44.736 -16.269 17.268 1.00 0.00 C ATOM 525 CG ARG A 76 -44.785 -15.856 15.806 1.00 0.00 C ATOM 526 CD ARG A 76 -45.712 -16.757 15.004 1.00 0.00 C ATOM 527 NE ARG A 76 -47.119 -16.452 15.250 1.00 0.00 N ATOM 528 CZ ARG A 76 -48.121 -17.205 14.811 1.00 0.00 C ATOM 529 NH1 ARG A 76 -47.873 -18.301 14.108 1.00 0.00 N ATOM 530 NH2 ARG A 76 -49.376 -16.862 15.076 1.00 0.00 N ATOM 0 H ARG A 76 -43.919 -14.011 17.827 1.00 0.00 H new ATOM 0 HA ARG A 76 -46.468 -15.086 17.740 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -43.696 -16.311 17.590 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -45.141 -17.276 17.366 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -45.124 -14.823 15.730 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -43.782 -15.894 15.382 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -45.497 -16.644 13.941 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -45.517 -17.798 15.260 1.00 0.00 H new ATOM 0 HE ARG A 76 -47.344 -15.615 15.788 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -46.910 -18.568 13.903 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -48.645 -18.877 13.772 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -49.571 -16.020 15.617 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -50.145 -17.441 14.738 1.00 0.00 H new ATOM 544 N ARG A 77 -44.801 -15.918 20.441 1.00 0.00 N ATOM 545 CA ARG A 77 -44.923 -16.533 21.758 1.00 0.00 C ATOM 546 C ARG A 77 -46.177 -16.039 22.473 1.00 0.00 C ATOM 547 O ARG A 77 -46.697 -16.704 23.369 1.00 0.00 O ATOM 548 CB ARG A 77 -43.686 -16.227 22.604 1.00 0.00 C ATOM 549 CG ARG A 77 -42.426 -16.921 22.113 1.00 0.00 C ATOM 550 CD ARG A 77 -42.453 -18.409 22.424 1.00 0.00 C ATOM 551 NE ARG A 77 -42.211 -18.677 23.839 1.00 0.00 N ATOM 552 CZ ARG A 77 -41.857 -19.867 24.312 1.00 0.00 C ATOM 553 NH1 ARG A 77 -41.703 -20.893 23.486 1.00 0.00 N ATOM 554 NH2 ARG A 77 -41.655 -20.032 25.613 1.00 0.00 N ATOM 0 H ARG A 77 -43.925 -15.418 20.289 1.00 0.00 H new ATOM 0 HA ARG A 77 -45.003 -17.612 21.622 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -43.518 -15.150 22.611 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -43.878 -16.526 23.634 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -42.324 -16.775 21.038 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -41.553 -16.466 22.581 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -43.420 -18.822 22.137 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -41.699 -18.918 21.824 1.00 0.00 H new ATOM 0 HE ARG A 77 -42.320 -17.908 24.501 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -41.856 -20.769 22.485 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -41.431 -21.806 23.852 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -41.771 -19.245 26.251 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -41.383 -20.946 25.975 1.00 0.00 H new ATOM 568 N LYS A 78 -46.658 -14.867 22.072 1.00 0.00 N ATOM 569 CA LYS A 78 -47.851 -14.282 22.674 1.00 0.00 C ATOM 570 C LYS A 78 -49.115 -14.871 22.056 1.00 0.00 C ATOM 571 O LYS A 78 -50.130 -15.035 22.734 1.00 0.00 O ATOM 572 CB LYS A 78 -47.844 -12.762 22.496 1.00 0.00 C ATOM 573 CG LYS A 78 -47.804 -11.997 23.808 1.00 0.00 C ATOM 574 CD LYS A 78 -47.354 -10.560 23.601 1.00 0.00 C ATOM 575 CE LYS A 78 -46.176 -10.211 24.498 1.00 0.00 C ATOM 576 NZ LYS A 78 -46.196 -8.779 24.906 1.00 0.00 N ATOM 0 H LYS A 78 -46.240 -14.303 21.332 1.00 0.00 H new ATOM 0 HA LYS A 78 -47.844 -14.517 23.738 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -46.981 -12.479 21.893 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -48.733 -12.466 21.939 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -48.793 -12.007 24.267 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -47.126 -12.496 24.501 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -47.075 -10.411 22.558 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -48.184 -9.884 23.808 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -46.196 -10.842 25.386 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -45.244 -10.427 23.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -45.378 -8.580 25.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -46.151 -8.176 24.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -47.073 -8.579 25.427 1.00 0.00 H new ATOM 875 N LEU B 52 -10.949 -7.244 8.795 1.00 0.00 N ATOM 876 CA LEU B 52 -11.989 -8.265 8.742 1.00 0.00 C ATOM 877 C LEU B 52 -12.897 -8.181 9.965 1.00 0.00 C ATOM 878 O LEU B 52 -14.068 -7.813 9.857 1.00 0.00 O ATOM 879 CB LEU B 52 -11.361 -9.657 8.654 1.00 0.00 C ATOM 880 CG LEU B 52 -12.338 -10.832 8.596 1.00 0.00 C ATOM 881 CD1 LEU B 52 -13.173 -10.771 7.327 1.00 0.00 C ATOM 882 CD2 LEU B 52 -11.588 -12.154 8.680 1.00 0.00 C ATOM 0 HA LEU B 52 -12.592 -8.088 7.851 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -10.728 -9.693 7.767 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -10.709 -9.795 9.517 1.00 0.00 H new ATOM 0 HG LEU B 52 -13.010 -10.763 9.452 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -13.862 -11.615 7.304 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -13.739 -9.840 7.308 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -12.517 -10.814 6.457 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -12.299 -12.979 8.637 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -10.892 -12.231 7.845 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -11.035 -12.200 9.618 1.00 0.00 H new ATOM 894 N ILE B 53 -12.350 -8.523 11.127 1.00 0.00 N ATOM 895 CA ILE B 53 -13.110 -8.483 12.370 1.00 0.00 C ATOM 896 C ILE B 53 -13.723 -7.105 12.595 1.00 0.00 C ATOM 897 O ILE B 53 -14.899 -6.986 12.937 1.00 0.00 O ATOM 898 CB ILE B 53 -12.228 -8.844 13.580 1.00 0.00 C ATOM 899 CG1 ILE B 53 -11.544 -10.194 13.355 1.00 0.00 C ATOM 900 CG2 ILE B 53 -13.062 -8.872 14.852 1.00 0.00 C ATOM 901 CD1 ILE B 53 -10.664 -10.625 14.508 1.00 0.00 C ATOM 0 H ILE B 53 -11.383 -8.831 11.233 1.00 0.00 H new ATOM 0 HA ILE B 53 -13.906 -9.222 12.278 1.00 0.00 H new ATOM 0 HB ILE B 53 -11.457 -8.081 13.690 1.00 0.00 H new ATOM 0 HG12 ILE B 53 -12.306 -10.955 13.186 1.00 0.00 H new ATOM 0 HG13 ILE B 53 -10.941 -10.140 12.449 1.00 0.00 H new ATOM 0 HG21 ILE B 53 -12.425 -9.129 15.699 1.00 0.00 H new ATOM 0 HG22 ILE B 53 -13.507 -7.891 15.017 1.00 0.00 H new ATOM 0 HG23 ILE B 53 -13.852 -9.617 14.753 1.00 0.00 H new ATOM 0 HD11 ILE B 53 -10.212 -11.590 14.280 1.00 0.00 H new ATOM 0 HD12 ILE B 53 -9.880 -9.884 14.664 1.00 0.00 H new ATOM 0 HD13 ILE B 53 -11.266 -10.712 15.413 1.00 0.00 H new ATOM 913 N ALA B 54 -12.918 -6.066 12.399 1.00 0.00 N ATOM 914 CA ALA B 54 -13.383 -4.696 12.576 1.00 0.00 C ATOM 915 C ALA B 54 -14.670 -4.447 11.797 1.00 0.00 C ATOM 916 O ALA B 54 -15.709 -4.137 12.380 1.00 0.00 O ATOM 917 CB ALA B 54 -12.304 -3.713 12.145 1.00 0.00 C ATOM 0 H ALA B 54 -11.941 -6.147 12.118 1.00 0.00 H new ATOM 0 HA ALA B 54 -13.596 -4.545 13.634 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -12.665 -2.694 12.282 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -11.410 -3.866 12.749 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -12.064 -3.874 11.094 1.00 0.00 H new ATOM 923 N ALA B 55 -14.593 -4.584 10.478 1.00 0.00 N ATOM 924 CA ALA B 55 -15.753 -4.375 9.620 1.00 0.00 C ATOM 925 C ALA B 55 -16.952 -5.179 10.112 1.00 0.00 C ATOM 926 O ALA B 55 -18.095 -4.740 9.999 1.00 0.00 O ATOM 927 CB ALA B 55 -15.420 -4.747 8.182 1.00 0.00 C ATOM 0 H ALA B 55 -13.740 -4.839 9.980 1.00 0.00 H new ATOM 0 HA ALA B 55 -16.017 -3.318 9.659 1.00 0.00 H new ATOM 0 HB1 ALA B 55 -16.295 -4.586 7.553 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -14.598 -4.126 7.826 1.00 0.00 H new ATOM 0 HB3 ALA B 55 -15.128 -5.796 8.136 1.00 0.00 H new ATOM 933 N GLY B 56 -16.682 -6.361 10.658 1.00 0.00 N ATOM 934 CA GLY B 56 -17.749 -7.208 11.158 1.00 0.00 C ATOM 935 C GLY B 56 -18.563 -6.534 12.245 1.00 0.00 C ATOM 936 O GLY B 56 -19.780 -6.391 12.121 1.00 0.00 O ATOM 0 H GLY B 56 -15.744 -6.747 10.763 1.00 0.00 H new ATOM 0 HA2 GLY B 56 -18.407 -7.483 10.334 1.00 0.00 H new ATOM 0 HA3 GLY B 56 -17.323 -8.132 11.548 1.00 0.00 H new ATOM 940 N VAL B 57 -17.892 -6.119 13.314 1.00 0.00 N ATOM 941 CA VAL B 57 -18.561 -5.457 14.428 1.00 0.00 C ATOM 942 C VAL B 57 -19.168 -4.128 13.992 1.00 0.00 C ATOM 943 O VAL B 57 -20.246 -3.747 14.450 1.00 0.00 O ATOM 944 CB VAL B 57 -17.590 -5.207 15.597 1.00 0.00 C ATOM 945 CG1 VAL B 57 -18.342 -4.692 16.815 1.00 0.00 C ATOM 946 CG2 VAL B 57 -16.822 -6.476 15.932 1.00 0.00 C ATOM 0 H VAL B 57 -16.885 -6.229 13.433 1.00 0.00 H new ATOM 0 HA VAL B 57 -19.356 -6.124 14.762 1.00 0.00 H new ATOM 0 HB VAL B 57 -16.872 -4.445 15.294 1.00 0.00 H new ATOM 0 HG11 VAL B 57 -17.640 -4.521 17.631 1.00 0.00 H new ATOM 0 HG12 VAL B 57 -18.842 -3.756 16.565 1.00 0.00 H new ATOM 0 HG13 VAL B 57 -19.084 -5.429 17.123 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -16.141 -6.281 16.760 1.00 0.00 H new ATOM 0 HG22 VAL B 57 -17.523 -7.261 16.216 1.00 0.00 H new ATOM 0 HG23 VAL B 57 -16.251 -6.797 15.060 1.00 0.00 H new ATOM 956 N ILE B 58 -18.470 -3.428 13.104 1.00 0.00 N ATOM 957 CA ILE B 58 -18.942 -2.142 12.605 1.00 0.00 C ATOM 958 C ILE B 58 -20.225 -2.303 11.797 1.00 0.00 C ATOM 959 O ILE B 58 -21.186 -1.558 11.982 1.00 0.00 O ATOM 960 CB ILE B 58 -17.879 -1.454 11.729 1.00 0.00 C ATOM 961 CG1 ILE B 58 -16.639 -1.119 12.561 1.00 0.00 C ATOM 962 CG2 ILE B 58 -18.451 -0.197 11.091 1.00 0.00 C ATOM 963 CD1 ILE B 58 -15.499 -0.553 11.745 1.00 0.00 C ATOM 0 H ILE B 58 -17.576 -3.729 12.716 1.00 0.00 H new ATOM 0 HA ILE B 58 -19.141 -1.519 13.477 1.00 0.00 H new ATOM 0 HB ILE B 58 -17.585 -2.140 10.934 1.00 0.00 H new ATOM 0 HG12 ILE B 58 -16.913 -0.401 13.334 1.00 0.00 H new ATOM 0 HG13 ILE B 58 -16.298 -2.021 13.070 1.00 0.00 H new ATOM 0 HG21 ILE B 58 -17.688 0.278 10.475 1.00 0.00 H new ATOM 0 HG22 ILE B 58 -19.306 -0.461 10.469 1.00 0.00 H new ATOM 0 HG23 ILE B 58 -18.770 0.494 11.871 1.00 0.00 H new ATOM 0 HD11 ILE B 58 -14.654 -0.339 12.400 1.00 0.00 H new ATOM 0 HD12 ILE B 58 -15.198 -1.278 10.989 1.00 0.00 H new ATOM 0 HD13 ILE B 58 -15.822 0.367 11.257 1.00 0.00 H new ATOM 975 N GLY B 59 -20.233 -3.284 10.899 1.00 0.00 N ATOM 976 CA GLY B 59 -21.403 -3.527 10.076 1.00 0.00 C ATOM 977 C GLY B 59 -22.641 -3.822 10.901 1.00 0.00 C ATOM 978 O GLY B 59 -23.686 -3.202 10.709 1.00 0.00 O ATOM 0 H GLY B 59 -19.450 -3.915 10.727 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -21.588 -2.656 9.447 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -21.206 -4.366 9.409 1.00 0.00 H new ATOM 982 N GLY B 60 -22.523 -4.774 11.821 1.00 0.00 N ATOM 983 CA GLY B 60 -23.649 -5.135 12.663 1.00 0.00 C ATOM 984 C GLY B 60 -24.181 -3.958 13.456 1.00 0.00 C ATOM 985 O GLY B 60 -25.394 -3.786 13.589 1.00 0.00 O ATOM 0 H GLY B 60 -21.668 -5.302 11.999 1.00 0.00 H new ATOM 0 HA2 GLY B 60 -24.447 -5.541 12.042 1.00 0.00 H new ATOM 0 HA3 GLY B 60 -23.346 -5.925 13.350 1.00 0.00 H new ATOM 989 N LEU B 61 -23.274 -3.145 13.985 1.00 0.00 N ATOM 990 CA LEU B 61 -23.658 -1.978 14.771 1.00 0.00 C ATOM 991 C LEU B 61 -24.306 -0.916 13.889 1.00 0.00 C ATOM 992 O LEU B 61 -25.460 -0.540 14.097 1.00 0.00 O ATOM 993 CB LEU B 61 -22.436 -1.391 15.481 1.00 0.00 C ATOM 994 CG LEU B 61 -21.951 -2.148 16.718 1.00 0.00 C ATOM 995 CD1 LEU B 61 -20.593 -1.627 17.163 1.00 0.00 C ATOM 996 CD2 LEU B 61 -22.966 -2.031 17.846 1.00 0.00 C ATOM 0 H LEU B 61 -22.267 -3.272 13.884 1.00 0.00 H new ATOM 0 HA LEU B 61 -24.385 -2.298 15.517 1.00 0.00 H new ATOM 0 HB2 LEU B 61 -21.615 -1.340 14.766 1.00 0.00 H new ATOM 0 HB3 LEU B 61 -22.668 -0.367 15.774 1.00 0.00 H new ATOM 0 HG LEU B 61 -21.846 -3.202 16.459 1.00 0.00 H new ATOM 0 HD11 LEU B 61 -20.263 -2.177 18.044 1.00 0.00 H new ATOM 0 HD12 LEU B 61 -19.870 -1.763 16.359 1.00 0.00 H new ATOM 0 HD13 LEU B 61 -20.671 -0.567 17.405 1.00 0.00 H new ATOM 0 HD21 LEU B 61 -22.605 -2.576 18.718 1.00 0.00 H new ATOM 0 HD22 LEU B 61 -23.103 -0.981 18.105 1.00 0.00 H new ATOM 0 HD23 LEU B 61 -23.918 -2.453 17.524 1.00 0.00 H new ATOM 1008 N PHE B 62 -23.557 -0.437 12.901 1.00 0.00 N ATOM 1009 CA PHE B 62 -24.059 0.580 11.985 1.00 0.00 C ATOM 1010 C PHE B 62 -25.406 0.168 11.399 1.00 0.00 C ATOM 1011 O PHE B 62 -26.395 0.891 11.520 1.00 0.00 O ATOM 1012 CB PHE B 62 -23.053 0.824 10.858 1.00 0.00 C ATOM 1013 CG PHE B 62 -23.469 1.908 9.907 1.00 0.00 C ATOM 1014 CD1 PHE B 62 -23.979 3.106 10.381 1.00 0.00 C ATOM 1015 CD2 PHE B 62 -23.351 1.730 8.538 1.00 0.00 C ATOM 1016 CE1 PHE B 62 -24.363 4.107 9.508 1.00 0.00 C ATOM 1017 CE2 PHE B 62 -23.732 2.727 7.660 1.00 0.00 C ATOM 1018 CZ PHE B 62 -24.240 3.916 8.145 1.00 0.00 C ATOM 0 H PHE B 62 -22.600 -0.737 12.714 1.00 0.00 H new ATOM 0 HA PHE B 62 -24.195 1.504 12.548 1.00 0.00 H new ATOM 0 HB2 PHE B 62 -22.088 1.084 11.293 1.00 0.00 H new ATOM 0 HB3 PHE B 62 -22.912 -0.102 10.301 1.00 0.00 H new ATOM 0 HD1 PHE B 62 -24.078 3.260 11.445 1.00 0.00 H new ATOM 0 HD2 PHE B 62 -22.957 0.801 8.153 1.00 0.00 H new ATOM 0 HE1 PHE B 62 -24.758 5.036 9.891 1.00 0.00 H new ATOM 0 HE2 PHE B 62 -23.632 2.576 6.595 1.00 0.00 H new ATOM 0 HZ PHE B 62 -24.541 4.695 7.460 1.00 0.00 H new ATOM 1028 N ILE B 63 -25.435 -0.998 10.762 1.00 0.00 N ATOM 1029 CA ILE B 63 -26.660 -1.508 10.158 1.00 0.00 C ATOM 1030 C ILE B 63 -27.804 -1.525 11.165 1.00 0.00 C ATOM 1031 O ILE B 63 -28.937 -1.166 10.840 1.00 0.00 O ATOM 1032 CB ILE B 63 -26.462 -2.929 9.598 1.00 0.00 C ATOM 1033 CG1 ILE B 63 -25.473 -2.908 8.430 1.00 0.00 C ATOM 1034 CG2 ILE B 63 -27.796 -3.515 9.159 1.00 0.00 C ATOM 1035 CD1 ILE B 63 -25.988 -2.168 7.215 1.00 0.00 C ATOM 0 H ILE B 63 -24.624 -1.607 10.651 1.00 0.00 H new ATOM 0 HA ILE B 63 -26.911 -0.835 9.338 1.00 0.00 H new ATOM 0 HB ILE B 63 -26.051 -3.560 10.386 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -24.543 -2.445 8.760 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -25.236 -3.934 8.147 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -27.640 -4.519 8.765 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -28.472 -3.561 10.013 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -28.233 -2.885 8.384 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -25.235 -2.194 6.427 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -26.902 -2.644 6.859 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -26.199 -1.132 7.482 1.00 0.00 H new ATOM 1047 N LEU B 64 -27.502 -1.942 12.389 1.00 0.00 N ATOM 1048 CA LEU B 64 -28.505 -2.004 13.446 1.00 0.00 C ATOM 1049 C LEU B 64 -28.978 -0.605 13.831 1.00 0.00 C ATOM 1050 O LEU B 64 -30.159 -0.391 14.104 1.00 0.00 O ATOM 1051 CB LEU B 64 -27.937 -2.718 14.674 1.00 0.00 C ATOM 1052 CG LEU B 64 -28.036 -4.244 14.668 1.00 0.00 C ATOM 1053 CD1 LEU B 64 -27.178 -4.839 15.774 1.00 0.00 C ATOM 1054 CD2 LEU B 64 -29.484 -4.685 14.818 1.00 0.00 C ATOM 0 H LEU B 64 -26.570 -2.242 12.674 1.00 0.00 H new ATOM 0 HA LEU B 64 -29.360 -2.566 13.069 1.00 0.00 H new ATOM 0 HB2 LEU B 64 -26.887 -2.442 14.777 1.00 0.00 H new ATOM 0 HB3 LEU B 64 -28.453 -2.344 15.558 1.00 0.00 H new ATOM 0 HG LEU B 64 -27.663 -4.609 13.711 1.00 0.00 H new ATOM 0 HD11 LEU B 64 -27.261 -5.926 15.754 1.00 0.00 H new ATOM 0 HD12 LEU B 64 -26.138 -4.552 15.622 1.00 0.00 H new ATOM 0 HD13 LEU B 64 -27.520 -4.467 16.740 1.00 0.00 H new ATOM 0 HD21 LEU B 64 -29.535 -5.774 14.812 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -29.883 -4.308 15.760 1.00 0.00 H new ATOM 0 HD23 LEU B 64 -30.072 -4.289 13.990 1.00 0.00 H new ATOM 1066 N VAL B 65 -28.048 0.344 13.849 1.00 0.00 N ATOM 1067 CA VAL B 65 -28.370 1.723 14.197 1.00 0.00 C ATOM 1068 C VAL B 65 -29.454 2.282 13.283 1.00 0.00 C ATOM 1069 O VAL B 65 -30.430 2.872 13.749 1.00 0.00 O ATOM 1070 CB VAL B 65 -27.126 2.628 14.112 1.00 0.00 C ATOM 1071 CG1 VAL B 65 -27.494 4.071 14.423 1.00 0.00 C ATOM 1072 CG2 VAL B 65 -26.041 2.131 15.055 1.00 0.00 C ATOM 0 H VAL B 65 -27.066 0.183 13.627 1.00 0.00 H new ATOM 0 HA VAL B 65 -28.734 1.713 15.224 1.00 0.00 H new ATOM 0 HB VAL B 65 -26.737 2.588 13.094 1.00 0.00 H new ATOM 0 HG11 VAL B 65 -26.603 4.696 14.358 1.00 0.00 H new ATOM 0 HG12 VAL B 65 -28.235 4.420 13.704 1.00 0.00 H new ATOM 0 HG13 VAL B 65 -27.908 4.132 15.430 1.00 0.00 H new ATOM 0 HG21 VAL B 65 -25.170 2.782 14.982 1.00 0.00 H new ATOM 0 HG22 VAL B 65 -26.416 2.140 16.078 1.00 0.00 H new ATOM 0 HG23 VAL B 65 -25.759 1.114 14.781 1.00 0.00 H new ATOM 1082 N ILE B 66 -29.278 2.091 11.980 1.00 0.00 N ATOM 1083 CA ILE B 66 -30.243 2.575 11.000 1.00 0.00 C ATOM 1084 C ILE B 66 -31.595 1.891 11.177 1.00 0.00 C ATOM 1085 O ILE B 66 -32.617 2.552 11.364 1.00 0.00 O ATOM 1086 CB ILE B 66 -29.748 2.343 9.560 1.00 0.00 C ATOM 1087 CG1 ILE B 66 -28.372 2.982 9.362 1.00 0.00 C ATOM 1088 CG2 ILE B 66 -30.747 2.904 8.560 1.00 0.00 C ATOM 1089 CD1 ILE B 66 -27.293 1.990 8.985 1.00 0.00 C ATOM 0 H ILE B 66 -28.476 1.605 11.578 1.00 0.00 H new ATOM 0 HA ILE B 66 -30.355 3.646 11.169 1.00 0.00 H new ATOM 0 HB ILE B 66 -29.658 1.270 9.391 1.00 0.00 H new ATOM 0 HG12 ILE B 66 -28.442 3.743 8.585 1.00 0.00 H new ATOM 0 HG13 ILE B 66 -28.081 3.491 10.281 1.00 0.00 H new ATOM 0 HG21 ILE B 66 -30.383 2.732 7.547 1.00 0.00 H new ATOM 0 HG22 ILE B 66 -31.709 2.408 8.689 1.00 0.00 H new ATOM 0 HG23 ILE B 66 -30.866 3.975 8.726 1.00 0.00 H new ATOM 0 HD11 ILE B 66 -26.345 2.513 8.861 1.00 0.00 H new ATOM 0 HD12 ILE B 66 -27.195 1.243 9.772 1.00 0.00 H new ATOM 0 HD13 ILE B 66 -27.561 1.499 8.050 1.00 0.00 H new ATOM 1101 N VAL B 67 -31.593 0.563 11.117 1.00 0.00 N ATOM 1102 CA VAL B 67 -32.818 -0.211 11.273 1.00 0.00 C ATOM 1103 C VAL B 67 -33.542 0.159 12.563 1.00 0.00 C ATOM 1104 O VAL B 67 -34.722 0.506 12.548 1.00 0.00 O ATOM 1105 CB VAL B 67 -32.530 -1.724 11.275 1.00 0.00 C ATOM 1106 CG1 VAL B 67 -33.829 -2.515 11.309 1.00 0.00 C ATOM 1107 CG2 VAL B 67 -31.694 -2.108 10.064 1.00 0.00 C ATOM 0 H VAL B 67 -30.756 0.001 10.961 1.00 0.00 H new ATOM 0 HA VAL B 67 -33.454 0.029 10.421 1.00 0.00 H new ATOM 0 HB VAL B 67 -31.961 -1.967 12.173 1.00 0.00 H new ATOM 0 HG11 VAL B 67 -33.605 -3.582 11.310 1.00 0.00 H new ATOM 0 HG12 VAL B 67 -34.387 -2.260 12.210 1.00 0.00 H new ATOM 0 HG13 VAL B 67 -34.427 -2.270 10.431 1.00 0.00 H new ATOM 0 HG21 VAL B 67 -31.500 -3.180 10.081 1.00 0.00 H new ATOM 0 HG22 VAL B 67 -32.234 -1.852 9.153 1.00 0.00 H new ATOM 0 HG23 VAL B 67 -30.748 -1.567 10.089 1.00 0.00 H new