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 75: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 -11.963 -9.846 2.238 1.00 0.00 N ATOM 142 CA PRO A 51 -12.515 -10.178 3.555 1.00 0.00 C ATOM 143 C PRO A 51 -13.210 -8.990 4.209 1.00 0.00 C ATOM 144 O PRO A 51 -14.292 -9.128 4.782 1.00 0.00 O ATOM 145 CB PRO A 51 -11.281 -10.588 4.363 1.00 0.00 C ATOM 146 CG PRO A 51 -10.146 -9.882 3.704 1.00 0.00 C ATOM 147 CD PRO A 51 -10.491 -9.817 2.242 1.00 0.00 C ATOM 0 HA PRO A 51 -13.278 -10.954 3.493 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.377 -10.294 5.408 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.138 -11.668 4.347 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -10.015 -8.883 4.119 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.210 -10.418 3.860 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.106 -8.909 1.778 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.071 -10.659 1.692 1.00 0.00 H new ATOM 155 N LEU A 52 -12.584 -7.822 4.120 1.00 0.00 N ATOM 156 CA LEU A 52 -13.143 -6.607 4.704 1.00 0.00 C ATOM 157 C LEU A 52 -14.579 -6.390 4.237 1.00 0.00 C ATOM 158 O LEU A 52 -15.521 -6.501 5.022 1.00 0.00 O ATOM 159 CB LEU A 52 -12.285 -5.397 4.331 1.00 0.00 C ATOM 160 CG LEU A 52 -12.750 -4.049 4.884 1.00 0.00 C ATOM 161 CD1 LEU A 52 -12.675 -4.040 6.403 1.00 0.00 C ATOM 162 CD2 LEU A 52 -11.917 -2.917 4.299 1.00 0.00 C ATOM 0 H LEU A 52 -11.689 -7.690 3.649 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.146 -6.722 5.788 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.267 -5.578 4.677 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.244 -5.327 3.244 1.00 0.00 H new ATOM 0 HG LEU A 52 -13.789 -3.897 4.592 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -13.010 -3.073 6.778 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -13.315 -4.826 6.804 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.646 -4.215 6.718 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.262 -1.965 4.703 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.869 -3.064 4.560 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -12.023 -2.910 3.214 1.00 0.00 H new ATOM 174 N ILE A 53 -14.738 -6.082 2.954 1.00 0.00 N ATOM 175 CA ILE A 53 -16.059 -5.854 2.382 1.00 0.00 C ATOM 176 C ILE A 53 -16.984 -7.037 2.644 1.00 0.00 C ATOM 177 O ILE A 53 -18.123 -6.864 3.076 1.00 0.00 O ATOM 178 CB ILE A 53 -15.980 -5.604 0.864 1.00 0.00 C ATOM 179 CG1 ILE A 53 -15.018 -4.452 0.564 1.00 0.00 C ATOM 180 CG2 ILE A 53 -17.363 -5.307 0.304 1.00 0.00 C ATOM 181 CD1 ILE A 53 -15.539 -3.101 1.001 1.00 0.00 C ATOM 0 H ILE A 53 -13.969 -5.985 2.291 1.00 0.00 H new ATOM 0 HA ILE A 53 -16.464 -4.966 2.868 1.00 0.00 H new ATOM 0 HB ILE A 53 -15.600 -6.504 0.381 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -14.067 -4.644 1.062 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -14.818 -4.426 -0.507 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -17.291 -5.132 -0.770 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -18.021 -6.156 0.490 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -17.769 -4.420 0.789 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -14.806 -2.332 0.757 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -16.475 -2.887 0.484 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -15.713 -3.109 2.077 1.00 0.00 H new ATOM 193 N ALA A 54 -16.485 -8.241 2.380 1.00 0.00 N ATOM 194 CA ALA A 54 -17.265 -9.454 2.590 1.00 0.00 C ATOM 195 C ALA A 54 -17.871 -9.481 3.990 1.00 0.00 C ATOM 196 O ALA A 54 -19.091 -9.491 4.148 1.00 0.00 O ATOM 197 CB ALA A 54 -16.399 -10.684 2.363 1.00 0.00 C ATOM 0 H ALA A 54 -15.544 -8.402 2.020 1.00 0.00 H new ATOM 0 HA ALA A 54 -18.082 -9.461 1.869 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -16.994 -11.583 2.523 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -16.019 -10.678 1.341 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -15.562 -10.674 3.061 1.00 0.00 H new ATOM 203 N ALA A 55 -17.009 -9.494 5.002 1.00 0.00 N ATOM 204 CA ALA A 55 -17.460 -9.519 6.388 1.00 0.00 C ATOM 205 C ALA A 55 -18.477 -8.415 6.655 1.00 0.00 C ATOM 206 O ALA A 55 -19.381 -8.575 7.474 1.00 0.00 O ATOM 207 CB ALA A 55 -16.273 -9.385 7.331 1.00 0.00 C ATOM 0 H ALA A 55 -15.995 -9.488 4.888 1.00 0.00 H new ATOM 0 HA ALA A 55 -17.948 -10.477 6.568 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.624 -9.405 8.363 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -15.582 -10.212 7.166 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.761 -8.442 7.140 1.00 0.00 H new ATOM 213 N GLY A 56 -18.324 -7.294 5.957 1.00 0.00 N ATOM 214 CA GLY A 56 -19.236 -6.179 6.134 1.00 0.00 C ATOM 215 C GLY A 56 -20.669 -6.544 5.799 1.00 0.00 C ATOM 216 O GLY A 56 -21.563 -6.407 6.633 1.00 0.00 O ATOM 0 H GLY A 56 -17.585 -7.138 5.272 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -19.184 -5.832 7.166 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.918 -5.350 5.502 1.00 0.00 H new ATOM 220 N VAL A 57 -20.888 -7.007 4.572 1.00 0.00 N ATOM 221 CA VAL A 57 -22.222 -7.392 4.128 1.00 0.00 C ATOM 222 C VAL A 57 -22.751 -8.574 4.933 1.00 0.00 C ATOM 223 O VAL A 57 -23.943 -8.651 5.232 1.00 0.00 O ATOM 224 CB VAL A 57 -22.232 -7.759 2.632 1.00 0.00 C ATOM 225 CG1 VAL A 57 -23.657 -7.966 2.142 1.00 0.00 C ATOM 226 CG2 VAL A 57 -21.529 -6.685 1.816 1.00 0.00 C ATOM 0 H VAL A 57 -20.159 -7.124 3.868 1.00 0.00 H new ATOM 0 HA VAL A 57 -22.869 -6.529 4.288 1.00 0.00 H new ATOM 0 HB VAL A 57 -21.690 -8.695 2.502 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -23.644 -8.224 1.083 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -24.122 -8.774 2.707 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -24.228 -7.048 2.284 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -21.545 -6.960 0.761 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -22.041 -5.732 1.950 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -20.496 -6.592 2.151 1.00 0.00 H new ATOM 236 N ILE A 58 -21.856 -9.491 5.283 1.00 0.00 N ATOM 237 CA ILE A 58 -22.231 -10.668 6.056 1.00 0.00 C ATOM 238 C ILE A 58 -22.684 -10.283 7.460 1.00 0.00 C ATOM 239 O ILE A 58 -23.724 -10.738 7.935 1.00 0.00 O ATOM 240 CB ILE A 58 -21.065 -11.669 6.162 1.00 0.00 C ATOM 241 CG1 ILE A 58 -20.700 -12.208 4.777 1.00 0.00 C ATOM 242 CG2 ILE A 58 -21.428 -12.808 7.102 1.00 0.00 C ATOM 243 CD1 ILE A 58 -19.489 -13.114 4.781 1.00 0.00 C ATOM 0 H ILE A 58 -20.866 -9.442 5.043 1.00 0.00 H new ATOM 0 HA ILE A 58 -23.058 -11.141 5.527 1.00 0.00 H new ATOM 0 HB ILE A 58 -20.197 -11.151 6.570 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -21.552 -12.755 4.373 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -20.514 -11.369 4.107 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -20.594 -13.507 7.166 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -21.643 -12.408 8.093 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -22.308 -13.327 6.722 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -19.289 -13.458 3.766 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -18.625 -12.565 5.155 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -19.679 -13.973 5.425 1.00 0.00 H new ATOM 255 N GLY A 59 -21.896 -9.438 8.119 1.00 0.00 N ATOM 256 CA GLY A 59 -22.234 -9.004 9.462 1.00 0.00 C ATOM 257 C GLY A 59 -23.601 -8.353 9.535 1.00 0.00 C ATOM 258 O GLY A 59 -24.432 -8.728 10.360 1.00 0.00 O ATOM 0 H GLY A 59 -21.031 -9.047 7.747 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -22.207 -9.861 10.135 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -21.480 -8.299 9.813 1.00 0.00 H new ATOM 262 N GLY A 60 -23.834 -7.372 8.668 1.00 0.00 N ATOM 263 CA GLY A 60 -25.111 -6.681 8.655 1.00 0.00 C ATOM 264 C GLY A 60 -26.277 -7.623 8.429 1.00 0.00 C ATOM 265 O GLY A 60 -27.308 -7.517 9.093 1.00 0.00 O ATOM 0 H GLY A 60 -23.162 -7.043 7.975 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -25.248 -6.159 9.602 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -25.103 -5.923 7.872 1.00 0.00 H new ATOM 269 N LEU A 61 -26.115 -8.546 7.487 1.00 0.00 N ATOM 270 CA LEU A 61 -27.164 -9.510 7.173 1.00 0.00 C ATOM 271 C LEU A 61 -27.387 -10.471 8.336 1.00 0.00 C ATOM 272 O LEU A 61 -28.495 -10.578 8.863 1.00 0.00 O ATOM 273 CB LEU A 61 -26.801 -10.295 5.911 1.00 0.00 C ATOM 274 CG LEU A 61 -26.956 -9.546 4.587 1.00 0.00 C ATOM 275 CD1 LEU A 61 -26.502 -10.416 3.425 1.00 0.00 C ATOM 276 CD2 LEU A 61 -28.398 -9.102 4.391 1.00 0.00 C ATOM 0 H LEU A 61 -25.268 -8.647 6.928 1.00 0.00 H new ATOM 0 HA LEU A 61 -28.088 -8.959 6.998 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -25.766 -10.627 5.999 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -27.421 -11.191 5.873 1.00 0.00 H new ATOM 0 HG LEU A 61 -26.324 -8.658 4.618 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -26.620 -9.866 2.491 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -25.454 -10.684 3.559 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -27.107 -11.322 3.391 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -28.490 -8.571 3.444 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -29.050 -9.976 4.381 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -28.689 -8.441 5.207 1.00 0.00 H new ATOM 288 N PHE A 62 -26.327 -11.166 8.734 1.00 0.00 N ATOM 289 CA PHE A 62 -26.407 -12.118 9.837 1.00 0.00 C ATOM 290 C PHE A 62 -27.034 -11.471 11.069 1.00 0.00 C ATOM 291 O PHE A 62 -28.037 -11.955 11.594 1.00 0.00 O ATOM 292 CB PHE A 62 -25.014 -12.651 10.180 1.00 0.00 C ATOM 293 CG PHE A 62 -25.039 -13.880 11.042 1.00 0.00 C ATOM 294 CD1 PHE A 62 -25.903 -14.926 10.757 1.00 0.00 C ATOM 295 CD2 PHE A 62 -24.198 -13.991 12.138 1.00 0.00 C ATOM 296 CE1 PHE A 62 -25.928 -16.058 11.550 1.00 0.00 C ATOM 297 CE2 PHE A 62 -24.219 -15.121 12.934 1.00 0.00 C ATOM 298 CZ PHE A 62 -25.084 -16.156 12.639 1.00 0.00 C ATOM 0 H PHE A 62 -25.403 -11.088 8.310 1.00 0.00 H new ATOM 0 HA PHE A 62 -27.039 -12.948 9.523 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -24.482 -12.876 9.256 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -24.450 -11.870 10.690 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -26.564 -14.856 9.906 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -23.518 -13.185 12.373 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -26.607 -16.865 11.318 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -23.559 -15.194 13.786 1.00 0.00 H new ATOM 0 HZ PHE A 62 -25.101 -17.040 13.259 1.00 0.00 H new ATOM 308 N ILE A 63 -26.435 -10.376 11.524 1.00 0.00 N ATOM 309 CA ILE A 63 -26.934 -9.663 12.693 1.00 0.00 C ATOM 310 C ILE A 63 -28.422 -9.355 12.556 1.00 0.00 C ATOM 311 O ILE A 63 -29.187 -9.496 13.510 1.00 0.00 O ATOM 312 CB ILE A 63 -26.168 -8.346 12.919 1.00 0.00 C ATOM 313 CG1 ILE A 63 -24.715 -8.636 13.301 1.00 0.00 C ATOM 314 CG2 ILE A 63 -26.849 -7.515 13.996 1.00 0.00 C ATOM 315 CD1 ILE A 63 -24.566 -9.299 14.653 1.00 0.00 C ATOM 0 H ILE A 63 -25.604 -9.963 11.101 1.00 0.00 H new ATOM 0 HA ILE A 63 -26.778 -10.317 13.551 1.00 0.00 H new ATOM 0 HB ILE A 63 -26.173 -7.775 11.990 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -24.269 -9.276 12.540 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -24.154 -7.701 13.300 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -26.296 -6.588 14.144 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -27.868 -7.284 13.687 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -26.871 -8.077 14.930 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -23.510 -9.475 14.858 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -24.982 -8.651 15.424 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -25.099 -10.250 14.653 1.00 0.00 H new ATOM 327 N LEU A 64 -28.825 -8.936 11.362 1.00 0.00 N ATOM 328 CA LEU A 64 -30.222 -8.610 11.097 1.00 0.00 C ATOM 329 C LEU A 64 -31.090 -9.864 11.129 1.00 0.00 C ATOM 330 O LEU A 64 -32.242 -9.825 11.561 1.00 0.00 O ATOM 331 CB LEU A 64 -30.357 -7.917 9.740 1.00 0.00 C ATOM 332 CG LEU A 64 -29.921 -6.452 9.689 1.00 0.00 C ATOM 333 CD1 LEU A 64 -29.762 -5.993 8.248 1.00 0.00 C ATOM 334 CD2 LEU A 64 -30.922 -5.572 10.424 1.00 0.00 C ATOM 0 H LEU A 64 -28.204 -8.814 10.562 1.00 0.00 H new ATOM 0 HA LEU A 64 -30.565 -7.933 11.879 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -29.772 -8.475 9.009 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -31.399 -7.976 9.426 1.00 0.00 H new ATOM 0 HG LEU A 64 -28.955 -6.362 10.186 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -29.451 -4.948 8.231 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -29.007 -6.604 7.753 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -30.713 -6.097 7.726 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -30.596 -4.533 10.378 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -31.902 -5.666 9.956 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -30.986 -5.886 11.466 1.00 0.00 H new ATOM 346 N VAL A 65 -30.528 -10.978 10.669 1.00 0.00 N ATOM 347 CA VAL A 65 -31.248 -12.245 10.647 1.00 0.00 C ATOM 348 C VAL A 65 -31.686 -12.653 12.049 1.00 0.00 C ATOM 349 O VAL A 65 -32.828 -13.065 12.259 1.00 0.00 O ATOM 350 CB VAL A 65 -30.387 -13.370 10.043 1.00 0.00 C ATOM 351 CG1 VAL A 65 -31.125 -14.699 10.105 1.00 0.00 C ATOM 352 CG2 VAL A 65 -29.999 -13.033 8.611 1.00 0.00 C ATOM 0 H VAL A 65 -29.576 -11.028 10.307 1.00 0.00 H new ATOM 0 HA VAL A 65 -32.129 -12.097 10.023 1.00 0.00 H new ATOM 0 HB VAL A 65 -29.474 -13.461 10.631 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -30.501 -15.482 9.674 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -31.348 -14.943 11.144 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -32.055 -14.625 9.542 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -29.391 -13.839 8.200 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -30.899 -12.914 8.008 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -29.428 -12.104 8.598 1.00 0.00 H new ATOM 362 N ILE A 66 -30.772 -12.534 13.006 1.00 0.00 N ATOM 363 CA ILE A 66 -31.065 -12.888 14.390 1.00 0.00 C ATOM 364 C ILE A 66 -32.081 -11.930 15.000 1.00 0.00 C ATOM 365 O ILE A 66 -33.137 -12.348 15.476 1.00 0.00 O ATOM 366 CB ILE A 66 -29.790 -12.884 15.254 1.00 0.00 C ATOM 367 CG1 ILE A 66 -28.711 -13.762 14.614 1.00 0.00 C ATOM 368 CG2 ILE A 66 -30.103 -13.364 16.663 1.00 0.00 C ATOM 369 CD1 ILE A 66 -27.451 -13.006 14.256 1.00 0.00 C ATOM 0 H ILE A 66 -29.823 -12.195 12.849 1.00 0.00 H new ATOM 0 HA ILE A 66 -31.482 -13.895 14.376 1.00 0.00 H new ATOM 0 HB ILE A 66 -29.413 -11.863 15.314 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -28.458 -14.570 15.300 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -29.116 -14.224 13.714 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -29.192 -13.355 17.261 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -30.841 -12.703 17.117 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -30.501 -14.378 16.622 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -26.731 -13.690 13.807 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -27.691 -12.215 13.546 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -27.022 -12.567 15.157 1.00 0.00 H new ATOM 381 N VAL A 67 -31.757 -10.641 14.980 1.00 0.00 N ATOM 382 CA VAL A 67 -32.644 -9.621 15.528 1.00 0.00 C ATOM 383 C VAL A 67 -34.034 -9.711 14.909 1.00 0.00 C ATOM 384 O VAL A 67 -35.035 -9.805 15.618 1.00 0.00 O ATOM 385 CB VAL A 67 -32.081 -8.206 15.297 1.00 0.00 C ATOM 386 CG1 VAL A 67 -33.037 -7.156 15.843 1.00 0.00 C ATOM 387 CG2 VAL A 67 -30.706 -8.069 15.933 1.00 0.00 C ATOM 0 H VAL A 67 -30.887 -10.278 14.590 1.00 0.00 H new ATOM 0 HA VAL A 67 -32.715 -9.805 16.600 1.00 0.00 H new ATOM 0 HB VAL A 67 -31.977 -8.046 14.224 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -32.623 -6.162 15.671 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -33.999 -7.241 15.337 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -33.175 -7.311 16.913 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -30.324 -7.063 15.760 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -30.782 -8.249 17.005 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -30.026 -8.797 15.490 1.00 0.00 H new ATOM 397 N GLY A 68 -34.088 -9.681 13.581 1.00 0.00 N ATOM 398 CA GLY A 68 -35.361 -9.761 12.888 1.00 0.00 C ATOM 399 C GLY A 68 -36.194 -10.943 13.341 1.00 0.00 C ATOM 400 O GLY A 68 -37.333 -10.777 13.781 1.00 0.00 O ATOM 0 H GLY A 68 -33.273 -9.603 12.973 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -35.921 -8.841 13.055 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -35.183 -9.836 11.815 1.00 0.00 H new ATOM 404 N LEU A 69 -35.628 -12.140 13.233 1.00 0.00 N ATOM 405 CA LEU A 69 -36.328 -13.356 13.633 1.00 0.00 C ATOM 406 C LEU A 69 -36.727 -13.295 15.104 1.00 0.00 C ATOM 407 O LEU A 69 -37.853 -13.636 15.468 1.00 0.00 O ATOM 408 CB LEU A 69 -35.446 -14.581 13.383 1.00 0.00 C ATOM 409 CG LEU A 69 -35.307 -15.020 11.925 1.00 0.00 C ATOM 410 CD1 LEU A 69 -34.402 -16.238 11.819 1.00 0.00 C ATOM 411 CD2 LEU A 69 -36.673 -15.315 11.323 1.00 0.00 C ATOM 0 H LEU A 69 -34.687 -12.295 12.872 1.00 0.00 H new ATOM 0 HA LEU A 69 -37.234 -13.439 13.032 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -34.451 -14.374 13.776 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -35.847 -15.416 13.957 1.00 0.00 H new ATOM 0 HG LEU A 69 -34.853 -14.204 11.362 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -34.315 -16.536 10.774 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -33.415 -15.993 12.210 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -34.827 -17.059 12.396 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -36.554 -15.626 10.285 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -37.155 -16.113 11.888 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -37.290 -14.418 11.364 1.00 0.00 H new ATOM 423 N THR A 70 -35.798 -12.856 15.947 1.00 0.00 N ATOM 424 CA THR A 70 -36.053 -12.749 17.378 1.00 0.00 C ATOM 425 C THR A 70 -37.333 -11.968 17.651 1.00 0.00 C ATOM 426 O THR A 70 -38.072 -12.275 18.587 1.00 0.00 O ATOM 427 CB THR A 70 -34.881 -12.066 18.108 1.00 0.00 C ATOM 428 OG1 THR A 70 -33.713 -12.891 18.040 1.00 0.00 O ATOM 429 CG2 THR A 70 -35.234 -11.795 19.563 1.00 0.00 C ATOM 0 H THR A 70 -34.861 -12.569 15.663 1.00 0.00 H new ATOM 0 HA THR A 70 -36.163 -13.765 17.757 1.00 0.00 H new ATOM 0 HB THR A 70 -34.681 -11.114 17.616 1.00 0.00 H new ATOM 0 HG1 THR A 70 -33.326 -12.837 17.141 1.00 0.00 H new ATOM 0 HG21 THR A 70 -34.391 -11.312 20.058 1.00 0.00 H new ATOM 0 HG22 THR A 70 -36.105 -11.142 19.610 1.00 0.00 H new ATOM 0 HG23 THR A 70 -35.459 -12.736 20.064 1.00 0.00 H new ATOM 437 N PHE A 71 -37.590 -10.956 16.829 1.00 0.00 N ATOM 438 CA PHE A 71 -38.781 -10.130 16.983 1.00 0.00 C ATOM 439 C PHE A 71 -40.031 -10.893 16.555 1.00 0.00 C ATOM 440 O PHE A 71 -41.029 -10.925 17.276 1.00 0.00 O ATOM 441 CB PHE A 71 -38.647 -8.846 16.160 1.00 0.00 C ATOM 442 CG PHE A 71 -39.811 -7.910 16.317 1.00 0.00 C ATOM 443 CD1 PHE A 71 -40.279 -7.569 17.576 1.00 0.00 C ATOM 444 CD2 PHE A 71 -40.437 -7.370 15.205 1.00 0.00 C ATOM 445 CE1 PHE A 71 -41.350 -6.708 17.723 1.00 0.00 C ATOM 446 CE2 PHE A 71 -41.509 -6.508 15.346 1.00 0.00 C ATOM 447 CZ PHE A 71 -41.965 -6.176 16.606 1.00 0.00 C ATOM 0 H PHE A 71 -36.989 -10.688 16.049 1.00 0.00 H new ATOM 0 HA PHE A 71 -38.878 -9.870 18.037 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -37.733 -8.329 16.454 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -38.541 -9.108 15.107 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -39.801 -7.981 18.453 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -40.084 -7.625 14.217 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -41.706 -6.451 18.710 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -41.989 -6.095 14.471 1.00 0.00 H new ATOM 0 HZ PHE A 71 -42.801 -5.502 16.718 1.00 0.00 H new ATOM 457 N ALA A 72 -39.969 -11.506 15.378 1.00 0.00 N ATOM 458 CA ALA A 72 -41.095 -12.270 14.854 1.00 0.00 C ATOM 459 C ALA A 72 -41.394 -13.479 15.735 1.00 0.00 C ATOM 460 O ALA A 72 -42.524 -13.967 15.772 1.00 0.00 O ATOM 461 CB ALA A 72 -40.814 -12.712 13.426 1.00 0.00 C ATOM 0 H ALA A 72 -39.151 -11.489 14.769 1.00 0.00 H new ATOM 0 HA ALA A 72 -41.973 -11.625 14.856 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -41.663 -13.281 13.048 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -40.656 -11.835 12.798 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -39.921 -13.337 13.408 1.00 0.00 H new ATOM 467 N VAL A 73 -40.375 -13.958 16.441 1.00 0.00 N ATOM 468 CA VAL A 73 -40.530 -15.109 17.322 1.00 0.00 C ATOM 469 C VAL A 73 -41.113 -14.697 18.669 1.00 0.00 C ATOM 470 O VAL A 73 -42.055 -15.315 19.165 1.00 0.00 O ATOM 471 CB VAL A 73 -39.185 -15.823 17.554 1.00 0.00 C ATOM 472 CG1 VAL A 73 -39.352 -16.971 18.538 1.00 0.00 C ATOM 473 CG2 VAL A 73 -38.612 -16.320 16.235 1.00 0.00 C ATOM 0 H VAL A 73 -39.433 -13.567 16.420 1.00 0.00 H new ATOM 0 HA VAL A 73 -41.217 -15.795 16.827 1.00 0.00 H new ATOM 0 HB VAL A 73 -38.483 -15.108 17.983 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -38.391 -17.463 18.689 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -39.715 -16.584 19.490 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -40.069 -17.689 18.141 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -37.662 -16.822 16.417 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -39.310 -17.020 15.776 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -38.453 -15.474 15.566 1.00 0.00 H new ATOM 483 N TYR A 74 -40.547 -13.648 19.256 1.00 0.00 N ATOM 484 CA TYR A 74 -41.009 -13.153 20.547 1.00 0.00 C ATOM 485 C TYR A 74 -42.498 -12.820 20.502 1.00 0.00 C ATOM 486 O TYR A 74 -43.242 -13.120 21.435 1.00 0.00 O ATOM 487 CB TYR A 74 -40.211 -11.915 20.958 1.00 0.00 C ATOM 488 CG TYR A 74 -40.365 -11.553 22.418 1.00 0.00 C ATOM 489 CD1 TYR A 74 -39.808 -12.345 23.414 1.00 0.00 C ATOM 490 CD2 TYR A 74 -41.066 -10.416 22.801 1.00 0.00 C ATOM 491 CE1 TYR A 74 -39.947 -12.018 24.748 1.00 0.00 C ATOM 492 CE2 TYR A 74 -41.209 -10.080 24.133 1.00 0.00 C ATOM 493 CZ TYR A 74 -40.648 -10.884 25.103 1.00 0.00 C ATOM 494 OH TYR A 74 -40.788 -10.554 26.432 1.00 0.00 O ATOM 0 H TYR A 74 -39.767 -13.124 18.858 1.00 0.00 H new ATOM 0 HA TYR A 74 -40.853 -13.939 21.285 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -39.156 -12.085 20.744 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -40.528 -11.070 20.347 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -39.256 -13.232 23.140 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -41.507 -9.784 22.044 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -39.509 -12.646 25.510 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -41.757 -9.193 24.413 1.00 0.00 H new ATOM 0 HH TYR A 74 -41.307 -9.727 26.511 1.00 0.00 H new ATOM 504 N VAL A 75 -42.925 -12.198 19.407 1.00 0.00 N ATOM 505 CA VAL A 75 -44.324 -11.825 19.238 1.00 0.00 C ATOM 506 C VAL A 75 -45.211 -13.059 19.115 1.00 0.00 C ATOM 507 O VAL A 75 -46.257 -13.150 19.758 1.00 0.00 O ATOM 508 CB VAL A 75 -44.522 -10.939 17.993 1.00 0.00 C ATOM 509 CG1 VAL A 75 -46.000 -10.669 17.758 1.00 0.00 C ATOM 510 CG2 VAL A 75 -43.750 -9.636 18.139 1.00 0.00 C ATOM 0 H VAL A 75 -42.322 -11.942 18.625 1.00 0.00 H new ATOM 0 HA VAL A 75 -44.611 -11.262 20.126 1.00 0.00 H new ATOM 0 HB VAL A 75 -44.133 -11.471 17.125 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -46.119 -10.042 16.875 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -46.523 -11.613 17.606 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -46.419 -10.158 18.625 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -43.901 -9.022 17.251 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -44.107 -9.098 19.017 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -42.688 -9.853 18.254 1.00 0.00 H new ATOM 520 N ARG A 76 -44.786 -14.007 18.286 1.00 0.00 N ATOM 521 CA ARG A 76 -45.542 -15.236 18.079 1.00 0.00 C ATOM 522 C ARG A 76 -45.846 -15.918 19.410 1.00 0.00 C ATOM 523 O ARG A 76 -46.914 -16.503 19.589 1.00 0.00 O ATOM 524 CB ARG A 76 -44.766 -16.190 17.170 1.00 0.00 C ATOM 525 CG ARG A 76 -44.781 -15.784 15.706 1.00 0.00 C ATOM 526 CD ARG A 76 -45.681 -16.694 14.884 1.00 0.00 C ATOM 527 NE ARG A 76 -44.924 -17.737 14.197 1.00 0.00 N ATOM 528 CZ ARG A 76 -45.466 -18.864 13.750 1.00 0.00 C ATOM 529 NH1 ARG A 76 -46.762 -19.092 13.915 1.00 0.00 N ATOM 530 NH2 ARG A 76 -44.712 -19.765 13.134 1.00 0.00 N ATOM 0 H ARG A 76 -43.922 -13.947 17.747 1.00 0.00 H new ATOM 0 HA ARG A 76 -46.486 -14.976 17.600 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -43.733 -16.244 17.512 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -45.186 -17.191 17.265 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -45.125 -14.754 15.617 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -43.767 -15.817 15.308 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -46.423 -17.155 15.536 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -46.226 -16.099 14.151 1.00 0.00 H new ATOM 0 HE ARG A 76 -43.925 -17.592 14.053 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -47.345 -18.401 14.386 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -47.175 -19.959 13.571 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -43.715 -19.592 13.003 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -45.129 -20.630 12.791 1.00 0.00 H new ATOM 544 N ARG A 77 -44.899 -15.839 20.339 1.00 0.00 N ATOM 545 CA ARG A 77 -45.065 -16.450 21.652 1.00 0.00 C ATOM 546 C ARG A 77 -46.326 -15.933 22.338 1.00 0.00 C ATOM 547 O ARG A 77 -46.883 -16.591 23.216 1.00 0.00 O ATOM 548 CB ARG A 77 -43.843 -16.166 22.528 1.00 0.00 C ATOM 549 CG ARG A 77 -42.585 -16.887 22.071 1.00 0.00 C ATOM 550 CD ARG A 77 -41.403 -16.573 22.975 1.00 0.00 C ATOM 551 NE ARG A 77 -41.429 -17.363 24.203 1.00 0.00 N ATOM 552 CZ ARG A 77 -40.400 -17.457 25.038 1.00 0.00 C ATOM 553 NH1 ARG A 77 -39.270 -16.813 24.778 1.00 0.00 N ATOM 554 NH2 ARG A 77 -40.499 -18.195 26.136 1.00 0.00 N ATOM 0 H ARG A 77 -44.009 -15.358 20.207 1.00 0.00 H new ATOM 0 HA ARG A 77 -45.163 -17.527 21.514 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -43.654 -15.093 22.536 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -44.066 -16.458 23.554 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -42.763 -17.962 22.064 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -42.349 -16.596 21.047 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -40.474 -16.767 22.438 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -41.410 -15.512 23.226 1.00 0.00 H new ATOM 0 HE ARG A 77 -42.284 -17.870 24.432 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -39.190 -16.244 23.935 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -38.481 -16.887 25.421 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -41.366 -18.691 26.340 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -39.708 -18.266 26.776 1.00 0.00 H new ATOM 568 N LYS A 78 -46.772 -14.749 21.930 1.00 0.00 N ATOM 569 CA LYS A 78 -47.967 -14.143 22.503 1.00 0.00 C ATOM 570 C LYS A 78 -49.228 -14.706 21.855 1.00 0.00 C ATOM 571 O LYS A 78 -50.258 -14.862 22.510 1.00 0.00 O ATOM 572 CB LYS A 78 -47.927 -12.623 22.328 1.00 0.00 C ATOM 573 CG LYS A 78 -47.904 -11.859 23.641 1.00 0.00 C ATOM 574 CD LYS A 78 -47.415 -10.434 23.448 1.00 0.00 C ATOM 575 CE LYS A 78 -46.252 -10.114 24.375 1.00 0.00 C ATOM 576 NZ LYS A 78 -46.718 -9.686 25.723 1.00 0.00 N ATOM 0 H LYS A 78 -46.323 -14.191 21.204 1.00 0.00 H new ATOM 0 HA LYS A 78 -47.989 -14.380 23.567 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -47.045 -12.356 21.747 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -48.796 -12.309 21.750 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -48.905 -11.846 24.073 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -47.257 -12.374 24.351 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -47.106 -10.291 22.412 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -48.233 -9.739 23.636 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -45.614 -10.992 24.473 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -45.643 -9.325 23.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -45.896 -9.477 26.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -47.306 -8.833 25.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -47.278 -10.448 26.155 1.00 0.00 H new ATOM 875 N LEU B 52 -10.989 -7.088 8.809 1.00 0.00 N ATOM 876 CA LEU B 52 -12.026 -8.113 8.754 1.00 0.00 C ATOM 877 C LEU B 52 -12.928 -8.042 9.982 1.00 0.00 C ATOM 878 O LEU B 52 -14.100 -7.677 9.882 1.00 0.00 O ATOM 879 CB LEU B 52 -11.393 -9.502 8.653 1.00 0.00 C ATOM 880 CG LEU B 52 -12.366 -10.678 8.559 1.00 0.00 C ATOM 881 CD1 LEU B 52 -13.163 -10.609 7.265 1.00 0.00 C ATOM 882 CD2 LEU B 52 -11.617 -11.999 8.656 1.00 0.00 C ATOM 0 HA LEU B 52 -12.634 -7.932 7.868 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -10.745 -9.521 7.776 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -10.755 -9.653 9.524 1.00 0.00 H new ATOM 0 HG LEU B 52 -13.063 -10.616 9.395 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -13.850 -11.454 7.215 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -13.730 -9.678 7.236 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -12.481 -10.646 6.415 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -12.325 -12.825 8.587 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -10.897 -12.070 7.841 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -11.092 -12.050 9.610 1.00 0.00 H new ATOM 894 N ILE B 53 -12.374 -8.390 11.138 1.00 0.00 N ATOM 895 CA ILE B 53 -13.128 -8.362 12.385 1.00 0.00 C ATOM 896 C ILE B 53 -13.753 -6.991 12.619 1.00 0.00 C ATOM 897 O ILE B 53 -14.936 -6.883 12.942 1.00 0.00 O ATOM 898 CB ILE B 53 -12.238 -8.719 13.590 1.00 0.00 C ATOM 899 CG1 ILE B 53 -11.556 -10.071 13.364 1.00 0.00 C ATOM 900 CG2 ILE B 53 -13.061 -8.743 14.869 1.00 0.00 C ATOM 901 CD1 ILE B 53 -12.509 -11.244 13.417 1.00 0.00 C ATOM 0 H ILE B 53 -11.406 -8.695 11.237 1.00 0.00 H new ATOM 0 HA ILE B 53 -13.917 -9.108 12.292 1.00 0.00 H new ATOM 0 HB ILE B 53 -11.467 -7.955 13.692 1.00 0.00 H new ATOM 0 HG12 ILE B 53 -11.059 -10.061 12.394 1.00 0.00 H new ATOM 0 HG13 ILE B 53 -10.781 -10.208 14.118 1.00 0.00 H new ATOM 0 HG21 ILE B 53 -12.417 -8.997 15.711 1.00 0.00 H new ATOM 0 HG22 ILE B 53 -13.505 -7.761 15.035 1.00 0.00 H new ATOM 0 HG23 ILE B 53 -13.852 -9.488 14.779 1.00 0.00 H new ATOM 0 HD11 ILE B 53 -11.957 -12.169 13.249 1.00 0.00 H new ATOM 0 HD12 ILE B 53 -12.988 -11.280 14.396 1.00 0.00 H new ATOM 0 HD13 ILE B 53 -13.270 -11.130 12.645 1.00 0.00 H new ATOM 913 N ALA B 54 -12.951 -5.944 12.451 1.00 0.00 N ATOM 914 CA ALA B 54 -13.426 -4.579 12.640 1.00 0.00 C ATOM 915 C ALA B 54 -14.710 -4.332 11.855 1.00 0.00 C ATOM 916 O ALA B 54 -15.752 -4.025 12.433 1.00 0.00 O ATOM 917 CB ALA B 54 -12.352 -3.585 12.226 1.00 0.00 C ATOM 0 H ALA B 54 -11.969 -6.016 12.184 1.00 0.00 H new ATOM 0 HA ALA B 54 -13.646 -4.439 13.698 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -12.720 -2.570 12.372 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -11.460 -3.739 12.834 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -12.105 -3.733 11.175 1.00 0.00 H new ATOM 923 N ALA B 55 -14.627 -4.466 10.536 1.00 0.00 N ATOM 924 CA ALA B 55 -15.783 -4.258 9.672 1.00 0.00 C ATOM 925 C ALA B 55 -16.980 -5.071 10.153 1.00 0.00 C ATOM 926 O ALA B 55 -18.126 -4.639 10.029 1.00 0.00 O ATOM 927 CB ALA B 55 -15.440 -4.620 8.235 1.00 0.00 C ATOM 0 H ALA B 55 -13.771 -4.718 10.042 1.00 0.00 H new ATOM 0 HA ALA B 55 -16.052 -3.203 9.714 1.00 0.00 H new ATOM 0 HB1 ALA B 55 -16.312 -4.460 7.601 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -14.619 -3.993 7.888 1.00 0.00 H new ATOM 0 HB3 ALA B 55 -15.142 -5.667 8.185 1.00 0.00 H new ATOM 933 N GLY B 56 -16.708 -6.251 10.701 1.00 0.00 N ATOM 934 CA GLY B 56 -17.774 -7.105 11.191 1.00 0.00 C ATOM 935 C GLY B 56 -18.599 -6.439 12.274 1.00 0.00 C ATOM 936 O GLY B 56 -19.815 -6.303 12.143 1.00 0.00 O ATOM 0 H GLY B 56 -15.768 -6.631 10.814 1.00 0.00 H new ATOM 0 HA2 GLY B 56 -18.425 -7.381 10.361 1.00 0.00 H new ATOM 0 HA3 GLY B 56 -17.345 -8.028 11.581 1.00 0.00 H new ATOM 940 N VAL B 57 -17.937 -6.024 13.350 1.00 0.00 N ATOM 941 CA VAL B 57 -18.617 -5.368 14.460 1.00 0.00 C ATOM 942 C VAL B 57 -19.233 -4.044 14.023 1.00 0.00 C ATOM 943 O VAL B 57 -20.311 -3.667 14.485 1.00 0.00 O ATOM 944 CB VAL B 57 -17.655 -5.111 15.635 1.00 0.00 C ATOM 945 CG1 VAL B 57 -18.418 -4.609 16.851 1.00 0.00 C ATOM 946 CG2 VAL B 57 -16.874 -6.373 15.969 1.00 0.00 C ATOM 0 H VAL B 57 -16.930 -6.131 13.476 1.00 0.00 H new ATOM 0 HA VAL B 57 -19.408 -6.042 14.788 1.00 0.00 H new ATOM 0 HB VAL B 57 -16.945 -4.339 15.338 1.00 0.00 H new ATOM 0 HG11 VAL B 57 -17.721 -4.433 17.671 1.00 0.00 H new ATOM 0 HG12 VAL B 57 -18.928 -3.678 16.602 1.00 0.00 H new ATOM 0 HG13 VAL B 57 -19.153 -5.355 17.153 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -16.199 -6.174 16.801 1.00 0.00 H new ATOM 0 HG22 VAL B 57 -17.567 -7.167 16.246 1.00 0.00 H new ATOM 0 HG23 VAL B 57 -16.295 -6.684 15.099 1.00 0.00 H new ATOM 956 N ILE B 58 -18.543 -3.343 13.130 1.00 0.00 N ATOM 957 CA ILE B 58 -19.023 -2.061 12.629 1.00 0.00 C ATOM 958 C ILE B 58 -20.299 -2.233 11.812 1.00 0.00 C ATOM 959 O ILE B 58 -21.269 -1.499 11.994 1.00 0.00 O ATOM 960 CB ILE B 58 -17.961 -1.363 11.760 1.00 0.00 C ATOM 961 CG1 ILE B 58 -16.731 -1.015 12.601 1.00 0.00 C ATOM 962 CG2 ILE B 58 -18.541 -0.111 11.118 1.00 0.00 C ATOM 963 CD1 ILE B 58 -15.593 -0.430 11.794 1.00 0.00 C ATOM 0 H ILE B 58 -17.650 -3.641 12.738 1.00 0.00 H new ATOM 0 HA ILE B 58 -19.233 -1.440 13.500 1.00 0.00 H new ATOM 0 HB ILE B 58 -17.655 -2.046 10.968 1.00 0.00 H new ATOM 0 HG12 ILE B 58 -17.020 -0.304 13.375 1.00 0.00 H new ATOM 0 HG13 ILE B 58 -16.381 -1.914 13.108 1.00 0.00 H new ATOM 0 HG21 ILE B 58 -17.778 0.371 10.507 1.00 0.00 H new ATOM 0 HG22 ILE B 58 -19.390 -0.384 10.491 1.00 0.00 H new ATOM 0 HG23 ILE B 58 -18.871 0.577 11.896 1.00 0.00 H new ATOM 0 HD11 ILE B 58 -14.755 -0.208 12.455 1.00 0.00 H new ATOM 0 HD12 ILE B 58 -15.277 -1.148 11.037 1.00 0.00 H new ATOM 0 HD13 ILE B 58 -15.925 0.487 11.308 1.00 0.00 H new ATOM 975 N GLY B 59 -20.292 -3.211 10.911 1.00 0.00 N ATOM 976 CA GLY B 59 -21.454 -3.464 10.081 1.00 0.00 C ATOM 977 C GLY B 59 -22.695 -3.770 10.897 1.00 0.00 C ATOM 978 O GLY B 59 -23.746 -3.166 10.691 1.00 0.00 O ATOM 0 H GLY B 59 -19.501 -3.833 10.742 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -21.643 -2.595 9.451 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -21.245 -4.301 9.415 1.00 0.00 H new ATOM 982 N GLY B 60 -22.572 -4.713 11.827 1.00 0.00 N ATOM 983 CA GLY B 60 -23.700 -5.082 12.662 1.00 0.00 C ATOM 984 C GLY B 60 -24.246 -3.909 13.451 1.00 0.00 C ATOM 985 O GLY B 60 -25.461 -3.738 13.562 1.00 0.00 O ATOM 0 H GLY B 60 -21.712 -5.227 12.017 1.00 0.00 H new ATOM 0 HA2 GLY B 60 -24.491 -5.495 12.036 1.00 0.00 H new ATOM 0 HA3 GLY B 60 -23.395 -5.869 13.352 1.00 0.00 H new ATOM 989 N LEU B 61 -23.348 -3.101 14.003 1.00 0.00 N ATOM 990 CA LEU B 61 -23.746 -1.938 14.789 1.00 0.00 C ATOM 991 C LEU B 61 -24.403 -0.882 13.904 1.00 0.00 C ATOM 992 O LEU B 61 -25.558 -0.513 14.114 1.00 0.00 O ATOM 993 CB LEU B 61 -22.533 -1.339 15.502 1.00 0.00 C ATOM 994 CG LEU B 61 -22.046 -2.089 16.742 1.00 0.00 C ATOM 995 CD1 LEU B 61 -20.799 -1.429 17.310 1.00 0.00 C ATOM 996 CD2 LEU B 61 -23.145 -2.151 17.793 1.00 0.00 C ATOM 0 H LEU B 61 -22.339 -3.229 13.921 1.00 0.00 H new ATOM 0 HA LEU B 61 -24.472 -2.265 15.534 1.00 0.00 H new ATOM 0 HB2 LEU B 61 -21.710 -1.282 14.790 1.00 0.00 H new ATOM 0 HB3 LEU B 61 -22.775 -0.317 15.792 1.00 0.00 H new ATOM 0 HG LEU B 61 -21.791 -3.108 16.450 1.00 0.00 H new ATOM 0 HD11 LEU B 61 -20.467 -1.977 18.192 1.00 0.00 H new ATOM 0 HD12 LEU B 61 -20.009 -1.437 16.559 1.00 0.00 H new ATOM 0 HD13 LEU B 61 -21.026 -0.399 17.586 1.00 0.00 H new ATOM 0 HD21 LEU B 61 -22.781 -2.688 18.669 1.00 0.00 H new ATOM 0 HD22 LEU B 61 -23.431 -1.139 18.081 1.00 0.00 H new ATOM 0 HD23 LEU B 61 -24.012 -2.670 17.383 1.00 0.00 H new ATOM 1008 N PHE B 62 -23.658 -0.401 12.914 1.00 0.00 N ATOM 1009 CA PHE B 62 -24.168 0.611 11.997 1.00 0.00 C ATOM 1010 C PHE B 62 -25.511 0.186 11.409 1.00 0.00 C ATOM 1011 O PHE B 62 -26.509 0.896 11.538 1.00 0.00 O ATOM 1012 CB PHE B 62 -23.163 0.862 10.871 1.00 0.00 C ATOM 1013 CG PHE B 62 -23.434 2.118 10.094 1.00 0.00 C ATOM 1014 CD1 PHE B 62 -23.738 3.301 10.748 1.00 0.00 C ATOM 1015 CD2 PHE B 62 -23.385 2.116 8.709 1.00 0.00 C ATOM 1016 CE1 PHE B 62 -23.989 4.458 10.035 1.00 0.00 C ATOM 1017 CE2 PHE B 62 -23.635 3.271 7.991 1.00 0.00 C ATOM 1018 CZ PHE B 62 -23.936 4.444 8.655 1.00 0.00 C ATOM 0 H PHE B 62 -22.700 -0.696 12.727 1.00 0.00 H new ATOM 0 HA PHE B 62 -24.313 1.534 12.559 1.00 0.00 H new ATOM 0 HB2 PHE B 62 -22.160 0.916 11.295 1.00 0.00 H new ATOM 0 HB3 PHE B 62 -23.175 0.012 10.188 1.00 0.00 H new ATOM 0 HD1 PHE B 62 -23.779 3.319 11.827 1.00 0.00 H new ATOM 0 HD2 PHE B 62 -23.149 1.202 8.184 1.00 0.00 H new ATOM 0 HE1 PHE B 62 -24.227 5.373 10.557 1.00 0.00 H new ATOM 0 HE2 PHE B 62 -23.595 3.256 6.912 1.00 0.00 H new ATOM 0 HZ PHE B 62 -24.129 5.348 8.097 1.00 0.00 H new ATOM 1028 N ILE B 63 -25.526 -0.975 10.764 1.00 0.00 N ATOM 1029 CA ILE B 63 -26.746 -1.495 10.157 1.00 0.00 C ATOM 1030 C ILE B 63 -27.892 -1.521 11.162 1.00 0.00 C ATOM 1031 O ILE B 63 -29.033 -1.202 10.828 1.00 0.00 O ATOM 1032 CB ILE B 63 -26.535 -2.915 9.598 1.00 0.00 C ATOM 1033 CG1 ILE B 63 -25.550 -2.885 8.428 1.00 0.00 C ATOM 1034 CG2 ILE B 63 -27.864 -3.515 9.164 1.00 0.00 C ATOM 1035 CD1 ILE B 63 -26.078 -2.155 7.212 1.00 0.00 C ATOM 0 H ILE B 63 -24.708 -1.574 10.648 1.00 0.00 H new ATOM 0 HA ILE B 63 -27.001 -0.824 9.336 1.00 0.00 H new ATOM 0 HB ILE B 63 -26.115 -3.541 10.385 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -24.625 -2.409 8.754 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -25.300 -3.908 8.147 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -27.699 -4.518 8.771 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -28.537 -3.566 10.020 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -28.309 -2.891 8.389 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -25.327 -2.173 6.422 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -26.987 -2.644 6.860 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -26.301 -1.121 7.477 1.00 0.00 H new ATOM 1047 N LEU B 64 -27.581 -1.902 12.396 1.00 0.00 N ATOM 1048 CA LEU B 64 -28.584 -1.969 13.453 1.00 0.00 C ATOM 1049 C LEU B 64 -29.054 -0.572 13.846 1.00 0.00 C ATOM 1050 O LEU B 64 -30.225 -0.367 14.167 1.00 0.00 O ATOM 1051 CB LEU B 64 -28.019 -2.692 14.676 1.00 0.00 C ATOM 1052 CG LEU B 64 -28.099 -4.219 14.650 1.00 0.00 C ATOM 1053 CD1 LEU B 64 -27.246 -4.818 15.757 1.00 0.00 C ATOM 1054 CD2 LEU B 64 -29.544 -4.679 14.779 1.00 0.00 C ATOM 0 H LEU B 64 -26.641 -2.169 12.689 1.00 0.00 H new ATOM 0 HA LEU B 64 -29.439 -2.527 13.073 1.00 0.00 H new ATOM 0 HB2 LEU B 64 -26.974 -2.405 14.792 1.00 0.00 H new ATOM 0 HB3 LEU B 64 -28.548 -2.336 15.560 1.00 0.00 H new ATOM 0 HG LEU B 64 -27.711 -4.568 13.693 1.00 0.00 H new ATOM 0 HD11 LEU B 64 -27.316 -5.905 15.722 1.00 0.00 H new ATOM 0 HD12 LEU B 64 -26.208 -4.517 15.620 1.00 0.00 H new ATOM 0 HD13 LEU B 64 -27.602 -4.462 16.724 1.00 0.00 H new ATOM 0 HD21 LEU B 64 -29.582 -5.768 14.759 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -29.958 -4.319 15.721 1.00 0.00 H new ATOM 0 HD23 LEU B 64 -30.128 -4.280 13.950 1.00 0.00 H new ATOM 1066 N VAL B 65 -28.134 0.387 13.817 1.00 0.00 N ATOM 1067 CA VAL B 65 -28.454 1.765 14.167 1.00 0.00 C ATOM 1068 C VAL B 65 -29.536 2.328 13.252 1.00 0.00 C ATOM 1069 O VAL B 65 -30.492 2.951 13.714 1.00 0.00 O ATOM 1070 CB VAL B 65 -27.209 2.669 14.087 1.00 0.00 C ATOM 1071 CG1 VAL B 65 -27.576 4.113 14.393 1.00 0.00 C ATOM 1072 CG2 VAL B 65 -26.129 2.172 15.036 1.00 0.00 C ATOM 0 H VAL B 65 -27.160 0.234 13.554 1.00 0.00 H new ATOM 0 HA VAL B 65 -28.820 1.753 15.194 1.00 0.00 H new ATOM 0 HB VAL B 65 -26.816 2.627 13.071 1.00 0.00 H new ATOM 0 HG11 VAL B 65 -26.684 4.736 14.332 1.00 0.00 H new ATOM 0 HG12 VAL B 65 -28.313 4.462 13.670 1.00 0.00 H new ATOM 0 HG13 VAL B 65 -27.995 4.177 15.397 1.00 0.00 H new ATOM 0 HG21 VAL B 65 -25.257 2.822 14.967 1.00 0.00 H new ATOM 0 HG22 VAL B 65 -26.509 2.183 16.057 1.00 0.00 H new ATOM 0 HG23 VAL B 65 -25.846 1.155 14.765 1.00 0.00 H new ATOM 1082 N ILE B 66 -29.379 2.102 11.952 1.00 0.00 N ATOM 1083 CA ILE B 66 -30.344 2.585 10.971 1.00 0.00 C ATOM 1084 C ILE B 66 -31.687 1.881 11.130 1.00 0.00 C ATOM 1085 O ILE B 66 -32.720 2.526 11.312 1.00 0.00 O ATOM 1086 CB ILE B 66 -29.835 2.379 9.532 1.00 0.00 C ATOM 1087 CG1 ILE B 66 -28.447 3.000 9.365 1.00 0.00 C ATOM 1088 CG2 ILE B 66 -30.814 2.979 8.534 1.00 0.00 C ATOM 1089 CD1 ILE B 66 -27.382 2.000 8.973 1.00 0.00 C ATOM 0 H ILE B 66 -28.593 1.588 11.553 1.00 0.00 H new ATOM 0 HA ILE B 66 -30.472 3.652 11.152 1.00 0.00 H new ATOM 0 HB ILE B 66 -29.759 1.309 9.338 1.00 0.00 H new ATOM 0 HG12 ILE B 66 -28.496 3.782 8.607 1.00 0.00 H new ATOM 0 HG13 ILE B 66 -28.157 3.480 10.300 1.00 0.00 H new ATOM 0 HG21 ILE B 66 -30.441 2.826 7.521 1.00 0.00 H new ATOM 0 HG22 ILE B 66 -31.785 2.495 8.640 1.00 0.00 H new ATOM 0 HG23 ILE B 66 -30.919 4.047 8.724 1.00 0.00 H new ATOM 0 HD11 ILE B 66 -26.424 2.510 8.872 1.00 0.00 H new ATOM 0 HD12 ILE B 66 -27.305 1.231 9.741 1.00 0.00 H new ATOM 0 HD13 ILE B 66 -27.649 1.538 8.023 1.00 0.00 H new ATOM 1101 N VAL B 67 -31.666 0.554 11.060 1.00 0.00 N ATOM 1102 CA VAL B 67 -32.882 -0.239 11.198 1.00 0.00 C ATOM 1103 C VAL B 67 -33.606 0.089 12.499 1.00 0.00 C ATOM 1104 O VAL B 67 -34.791 0.419 12.496 1.00 0.00 O ATOM 1105 CB VAL B 67 -32.576 -1.748 11.160 1.00 0.00 C ATOM 1106 CG1 VAL B 67 -33.850 -2.556 11.345 1.00 0.00 C ATOM 1107 CG2 VAL B 67 -31.884 -2.117 9.856 1.00 0.00 C ATOM 0 H VAL B 67 -30.820 0.005 10.908 1.00 0.00 H new ATOM 0 HA VAL B 67 -33.523 0.015 10.354 1.00 0.00 H new ATOM 0 HB VAL B 67 -31.902 -1.986 11.983 1.00 0.00 H new ATOM 0 HG11 VAL B 67 -33.614 -3.620 11.315 1.00 0.00 H new ATOM 0 HG12 VAL B 67 -34.300 -2.311 12.307 1.00 0.00 H new ATOM 0 HG13 VAL B 67 -34.551 -2.318 10.545 1.00 0.00 H new ATOM 0 HG21 VAL B 67 -31.675 -3.187 9.845 1.00 0.00 H new ATOM 0 HG22 VAL B 67 -32.532 -1.865 9.016 1.00 0.00 H new ATOM 0 HG23 VAL B 67 -30.949 -1.564 9.771 1.00 0.00 H new