USER MOD reduce.3.24.130724 H: found=0, std=0, add=371, rem=0, adj=3 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= 1.27 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -150:sc= -0.0597 (180deg=-0.536) USER MOD ----------------------------------------------------------------- ATOM 141 N PRO A 51 -11.947 -10.013 2.265 1.00 0.00 N ATOM 142 CA PRO A 51 -12.510 -10.341 3.578 1.00 0.00 C ATOM 143 C PRO A 51 -13.179 -9.140 4.238 1.00 0.00 C ATOM 144 O PRO A 51 -14.257 -9.259 4.821 1.00 0.00 O ATOM 145 CB PRO A 51 -11.289 -10.785 4.387 1.00 0.00 C ATOM 146 CG PRO A 51 -10.135 -10.103 3.735 1.00 0.00 C ATOM 147 CD PRO A 51 -10.475 -10.020 2.273 1.00 0.00 C ATOM 0 HA PRO A 51 -13.291 -11.099 3.509 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.381 -10.495 5.434 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.172 -11.869 4.366 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -9.980 -9.110 4.156 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.213 -10.663 3.890 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.066 -9.119 1.816 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.074 -10.868 1.718 1.00 0.00 H new ATOM 155 N LEU A 52 -12.533 -7.983 4.143 1.00 0.00 N ATOM 156 CA LEU A 52 -13.065 -6.759 4.731 1.00 0.00 C ATOM 157 C LEU A 52 -14.498 -6.511 4.269 1.00 0.00 C ATOM 158 O LEU A 52 -15.439 -6.603 5.058 1.00 0.00 O ATOM 159 CB LEU A 52 -12.184 -5.565 4.359 1.00 0.00 C ATOM 160 CG LEU A 52 -12.643 -4.203 4.881 1.00 0.00 C ATOM 161 CD1 LEU A 52 -12.619 -4.179 6.401 1.00 0.00 C ATOM 162 CD2 LEU A 52 -11.770 -3.093 4.314 1.00 0.00 C ATOM 0 H LEU A 52 -11.640 -7.867 3.664 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.067 -6.877 5.815 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.176 -5.753 4.730 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.119 -5.512 3.272 1.00 0.00 H new ATOM 0 HG LEU A 52 -13.668 -4.035 4.552 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -12.949 -3.202 6.755 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -13.286 -4.949 6.788 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.605 -4.369 6.752 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.111 -2.131 4.696 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.735 -3.256 4.613 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.838 -3.096 3.226 1.00 0.00 H new ATOM 174 N ILE A 53 -14.655 -6.200 2.987 1.00 0.00 N ATOM 175 CA ILE A 53 -15.973 -5.943 2.420 1.00 0.00 C ATOM 176 C ILE A 53 -16.919 -7.113 2.674 1.00 0.00 C ATOM 177 O ILE A 53 -18.060 -6.922 3.093 1.00 0.00 O ATOM 178 CB ILE A 53 -15.893 -5.683 0.905 1.00 0.00 C ATOM 179 CG1 ILE A 53 -14.901 -4.555 0.611 1.00 0.00 C ATOM 180 CG2 ILE A 53 -17.269 -5.342 0.352 1.00 0.00 C ATOM 181 CD1 ILE A 53 -14.771 -4.233 -0.862 1.00 0.00 C ATOM 0 H ILE A 53 -13.886 -6.120 2.321 1.00 0.00 H new ATOM 0 HA ILE A 53 -16.360 -5.052 2.914 1.00 0.00 H new ATOM 0 HB ILE A 53 -15.540 -6.590 0.414 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -15.215 -3.658 1.144 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -13.922 -4.832 1.002 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -17.196 -5.161 -0.720 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -17.950 -6.173 0.534 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -17.648 -4.447 0.846 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -14.052 -3.425 -0.996 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -14.427 -5.117 -1.399 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -15.740 -3.925 -1.254 1.00 0.00 H new ATOM 193 N ALA A 54 -16.434 -8.324 2.420 1.00 0.00 N ATOM 194 CA ALA A 54 -17.234 -9.525 2.624 1.00 0.00 C ATOM 195 C ALA A 54 -17.841 -9.549 4.023 1.00 0.00 C ATOM 196 O ALA A 54 -19.062 -9.549 4.181 1.00 0.00 O ATOM 197 CB ALA A 54 -16.388 -10.768 2.393 1.00 0.00 C ATOM 0 H ALA A 54 -15.491 -8.499 2.073 1.00 0.00 H new ATOM 0 HA ALA A 54 -18.050 -9.515 1.902 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -16.998 -11.658 2.549 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -16.007 -10.764 1.372 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -15.552 -10.774 3.093 1.00 0.00 H new ATOM 203 N ALA A 55 -16.981 -9.569 5.036 1.00 0.00 N ATOM 204 CA ALA A 55 -17.433 -9.592 6.422 1.00 0.00 C ATOM 205 C ALA A 55 -18.439 -8.477 6.689 1.00 0.00 C ATOM 206 O ALA A 55 -19.352 -8.633 7.498 1.00 0.00 O ATOM 207 CB ALA A 55 -16.246 -9.472 7.366 1.00 0.00 C ATOM 0 H ALA A 55 -15.967 -9.570 4.923 1.00 0.00 H new ATOM 0 HA ALA A 55 -17.930 -10.545 6.601 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.598 -9.491 8.397 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -15.564 -10.306 7.200 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.725 -8.534 7.177 1.00 0.00 H new ATOM 213 N GLY A 56 -18.263 -7.351 6.004 1.00 0.00 N ATOM 214 CA GLY A 56 -19.163 -6.226 6.183 1.00 0.00 C ATOM 215 C GLY A 56 -20.598 -6.572 5.838 1.00 0.00 C ATOM 216 O GLY A 56 -21.497 -6.423 6.667 1.00 0.00 O ATOM 0 H GLY A 56 -17.514 -7.198 5.329 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -19.113 -5.885 7.217 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.832 -5.397 5.558 1.00 0.00 H new ATOM 220 N VAL A 57 -20.816 -7.033 4.611 1.00 0.00 N ATOM 221 CA VAL A 57 -22.152 -7.399 4.157 1.00 0.00 C ATOM 222 C VAL A 57 -22.697 -8.581 4.951 1.00 0.00 C ATOM 223 O VAL A 57 -23.890 -8.645 5.249 1.00 0.00 O ATOM 224 CB VAL A 57 -22.158 -7.755 2.659 1.00 0.00 C ATOM 225 CG1 VAL A 57 -23.583 -7.945 2.161 1.00 0.00 C ATOM 226 CG2 VAL A 57 -21.442 -6.682 1.854 1.00 0.00 C ATOM 0 H VAL A 57 -20.084 -7.162 3.913 1.00 0.00 H new ATOM 0 HA VAL A 57 -22.790 -6.530 4.319 1.00 0.00 H new ATOM 0 HB VAL A 57 -21.623 -8.695 2.525 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -23.567 -8.196 1.100 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -24.058 -8.752 2.718 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -24.146 -7.023 2.307 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -21.456 -6.950 0.798 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -21.947 -5.726 1.993 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -20.410 -6.600 2.194 1.00 0.00 H new ATOM 236 N ILE A 58 -21.815 -9.515 5.292 1.00 0.00 N ATOM 237 CA ILE A 58 -22.207 -10.694 6.054 1.00 0.00 C ATOM 238 C ILE A 58 -22.667 -10.314 7.457 1.00 0.00 C ATOM 239 O ILE A 58 -23.718 -10.756 7.918 1.00 0.00 O ATOM 240 CB ILE A 58 -21.051 -11.706 6.160 1.00 0.00 C ATOM 241 CG1 ILE A 58 -20.682 -12.240 4.775 1.00 0.00 C ATOM 242 CG2 ILE A 58 -21.431 -12.848 7.091 1.00 0.00 C ATOM 243 CD1 ILE A 58 -19.474 -13.150 4.780 1.00 0.00 C ATOM 0 H ILE A 58 -20.824 -9.478 5.052 1.00 0.00 H new ATOM 0 HA ILE A 58 -23.035 -11.156 5.516 1.00 0.00 H new ATOM 0 HB ILE A 58 -20.180 -11.199 6.576 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -21.534 -12.783 4.365 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -20.490 -11.398 4.109 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -20.604 -13.555 7.156 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -21.648 -12.452 8.083 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -22.313 -13.356 6.702 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -19.271 -13.491 3.765 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -18.610 -12.605 5.160 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -19.670 -14.011 5.419 1.00 0.00 H new ATOM 255 N GLY A 59 -21.871 -9.490 8.132 1.00 0.00 N ATOM 256 CA GLY A 59 -22.214 -9.062 9.476 1.00 0.00 C ATOM 257 C GLY A 59 -23.571 -8.391 9.542 1.00 0.00 C ATOM 258 O GLY A 59 -24.417 -8.764 10.353 1.00 0.00 O ATOM 0 H GLY A 59 -20.995 -9.111 7.772 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -22.206 -9.925 10.142 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -21.453 -8.372 9.840 1.00 0.00 H new ATOM 262 N GLY A 60 -23.779 -7.394 8.687 1.00 0.00 N ATOM 263 CA GLY A 60 -25.044 -6.683 8.670 1.00 0.00 C ATOM 264 C GLY A 60 -26.223 -7.605 8.430 1.00 0.00 C ATOM 265 O GLY A 60 -27.262 -7.478 9.081 1.00 0.00 O ATOM 0 H GLY A 60 -23.094 -7.066 8.006 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -25.179 -6.165 9.619 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -25.018 -5.920 7.892 1.00 0.00 H new ATOM 269 N LEU A 61 -26.066 -8.534 7.494 1.00 0.00 N ATOM 270 CA LEU A 61 -27.127 -9.480 7.168 1.00 0.00 C ATOM 271 C LEU A 61 -27.368 -10.446 8.323 1.00 0.00 C ATOM 272 O LEU A 61 -28.478 -10.538 8.849 1.00 0.00 O ATOM 273 CB LEU A 61 -26.771 -10.260 5.901 1.00 0.00 C ATOM 274 CG LEU A 61 -26.913 -9.499 4.583 1.00 0.00 C ATOM 275 CD1 LEU A 61 -26.309 -10.297 3.438 1.00 0.00 C ATOM 276 CD2 LEU A 61 -28.376 -9.186 4.303 1.00 0.00 C ATOM 0 H LEU A 61 -25.213 -8.652 6.947 1.00 0.00 H new ATOM 0 HA LEU A 61 -28.043 -8.915 6.994 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -25.741 -10.606 5.989 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -27.402 -11.147 5.855 1.00 0.00 H new ATOM 0 HG LEU A 61 -26.370 -8.558 4.669 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -26.419 -9.739 2.508 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -25.251 -10.470 3.634 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -26.823 -11.254 3.351 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -28.458 -8.644 3.361 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -28.941 -10.116 4.237 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -28.778 -8.574 5.110 1.00 0.00 H new ATOM 288 N PHE A 62 -26.321 -11.164 8.716 1.00 0.00 N ATOM 289 CA PHE A 62 -26.418 -12.123 9.810 1.00 0.00 C ATOM 290 C PHE A 62 -27.038 -11.478 11.045 1.00 0.00 C ATOM 291 O PHE A 62 -28.042 -11.960 11.572 1.00 0.00 O ATOM 292 CB PHE A 62 -25.034 -12.680 10.152 1.00 0.00 C ATOM 293 CG PHE A 62 -25.080 -13.915 11.007 1.00 0.00 C ATOM 294 CD1 PHE A 62 -25.961 -14.943 10.715 1.00 0.00 C ATOM 295 CD2 PHE A 62 -24.240 -14.047 12.101 1.00 0.00 C ATOM 296 CE1 PHE A 62 -26.006 -16.079 11.500 1.00 0.00 C ATOM 297 CE2 PHE A 62 -24.279 -15.182 12.889 1.00 0.00 C ATOM 298 CZ PHE A 62 -25.163 -16.199 12.588 1.00 0.00 C ATOM 0 H PHE A 62 -25.395 -11.100 8.293 1.00 0.00 H new ATOM 0 HA PHE A 62 -27.062 -12.941 9.487 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -24.504 -12.907 9.227 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -24.459 -11.911 10.668 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -26.620 -14.856 9.864 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -23.547 -13.254 12.341 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -26.699 -16.872 11.263 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -23.619 -15.273 13.739 1.00 0.00 H new ATOM 0 HZ PHE A 62 -25.195 -17.087 13.202 1.00 0.00 H new ATOM 308 N ILE A 63 -26.434 -10.386 11.502 1.00 0.00 N ATOM 309 CA ILE A 63 -26.927 -9.674 12.674 1.00 0.00 C ATOM 310 C ILE A 63 -28.412 -9.353 12.538 1.00 0.00 C ATOM 311 O ILE A 63 -29.185 -9.524 13.482 1.00 0.00 O ATOM 312 CB ILE A 63 -26.149 -8.366 12.907 1.00 0.00 C ATOM 313 CG1 ILE A 63 -24.700 -8.671 13.293 1.00 0.00 C ATOM 314 CG2 ILE A 63 -26.826 -7.532 13.985 1.00 0.00 C ATOM 315 CD1 ILE A 63 -24.563 -9.340 14.643 1.00 0.00 C ATOM 0 H ILE A 63 -25.602 -9.975 11.078 1.00 0.00 H new ATOM 0 HA ILE A 63 -26.777 -10.333 13.529 1.00 0.00 H new ATOM 0 HB ILE A 63 -26.145 -7.792 11.980 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -24.257 -9.313 12.532 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -24.130 -7.742 13.297 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -26.264 -6.611 14.138 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -27.842 -7.290 13.673 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -26.857 -8.097 14.916 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -23.509 -9.527 14.851 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -24.976 -8.690 15.415 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -25.105 -10.286 14.637 1.00 0.00 H new ATOM 327 N LEU A 64 -28.804 -8.887 11.357 1.00 0.00 N ATOM 328 CA LEU A 64 -30.197 -8.542 11.096 1.00 0.00 C ATOM 329 C LEU A 64 -31.082 -9.784 11.136 1.00 0.00 C ATOM 330 O LEU A 64 -32.215 -9.737 11.617 1.00 0.00 O ATOM 331 CB LEU A 64 -30.326 -7.854 9.736 1.00 0.00 C ATOM 332 CG LEU A 64 -29.872 -6.396 9.675 1.00 0.00 C ATOM 333 CD1 LEU A 64 -29.713 -5.945 8.232 1.00 0.00 C ATOM 334 CD2 LEU A 64 -30.857 -5.499 10.410 1.00 0.00 C ATOM 0 H LEU A 64 -28.177 -8.740 10.566 1.00 0.00 H new ATOM 0 HA LEU A 64 -30.528 -7.857 11.876 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -29.750 -8.424 9.007 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -31.370 -7.902 9.425 1.00 0.00 H new ATOM 0 HG LEU A 64 -28.903 -6.318 10.167 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -29.389 -4.904 8.210 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -28.968 -6.568 7.736 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -30.667 -6.039 7.714 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -30.517 -4.465 10.356 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -31.840 -5.583 9.947 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -30.920 -5.806 11.454 1.00 0.00 H new ATOM 346 N VAL A 65 -30.557 -10.895 10.630 1.00 0.00 N ATOM 347 CA VAL A 65 -31.298 -12.151 10.611 1.00 0.00 C ATOM 348 C VAL A 65 -31.739 -12.550 12.014 1.00 0.00 C ATOM 349 O VAL A 65 -32.899 -12.901 12.235 1.00 0.00 O ATOM 350 CB VAL A 65 -30.456 -13.290 10.006 1.00 0.00 C ATOM 351 CG1 VAL A 65 -31.222 -14.604 10.053 1.00 0.00 C ATOM 352 CG2 VAL A 65 -30.047 -12.952 8.581 1.00 0.00 C ATOM 0 H VAL A 65 -29.621 -10.951 10.228 1.00 0.00 H new ATOM 0 HA VAL A 65 -32.178 -11.990 9.989 1.00 0.00 H new ATOM 0 HB VAL A 65 -29.550 -13.404 10.601 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -30.611 -15.397 9.621 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -31.458 -14.851 11.088 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -32.146 -14.507 9.483 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -29.453 -13.768 8.170 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -30.939 -12.809 7.971 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -29.456 -12.036 8.580 1.00 0.00 H new ATOM 362 N ILE A 66 -30.808 -12.493 12.960 1.00 0.00 N ATOM 363 CA ILE A 66 -31.102 -12.847 14.343 1.00 0.00 C ATOM 364 C ILE A 66 -32.123 -11.891 14.950 1.00 0.00 C ATOM 365 O ILE A 66 -33.178 -12.311 15.424 1.00 0.00 O ATOM 366 CB ILE A 66 -29.828 -12.838 15.209 1.00 0.00 C ATOM 367 CG1 ILE A 66 -28.762 -13.748 14.596 1.00 0.00 C ATOM 368 CG2 ILE A 66 -30.151 -13.275 16.631 1.00 0.00 C ATOM 369 CD1 ILE A 66 -27.492 -13.019 14.215 1.00 0.00 C ATOM 0 H ILE A 66 -29.844 -12.205 12.794 1.00 0.00 H new ATOM 0 HA ILE A 66 -31.516 -13.855 14.330 1.00 0.00 H new ATOM 0 HB ILE A 66 -29.436 -11.821 15.242 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -28.519 -14.538 15.306 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -29.174 -14.231 13.710 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -29.241 -13.264 17.231 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -30.880 -12.591 17.065 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -30.563 -14.284 16.617 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -26.781 -13.726 13.787 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -27.722 -12.246 13.481 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -27.057 -12.559 15.102 1.00 0.00 H new ATOM 381 N VAL A 67 -31.801 -10.601 14.931 1.00 0.00 N ATOM 382 CA VAL A 67 -32.692 -9.583 15.477 1.00 0.00 C ATOM 383 C VAL A 67 -34.088 -9.694 14.875 1.00 0.00 C ATOM 384 O VAL A 67 -35.080 -9.792 15.595 1.00 0.00 O ATOM 385 CB VAL A 67 -32.146 -8.165 15.223 1.00 0.00 C ATOM 386 CG1 VAL A 67 -33.011 -7.127 15.921 1.00 0.00 C ATOM 387 CG2 VAL A 67 -30.699 -8.062 15.681 1.00 0.00 C ATOM 0 H VAL A 67 -30.931 -10.236 14.544 1.00 0.00 H new ATOM 0 HA VAL A 67 -32.749 -9.755 16.552 1.00 0.00 H new ATOM 0 HB VAL A 67 -32.178 -7.968 14.151 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -32.610 -6.132 15.730 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -34.030 -7.187 15.539 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -33.014 -7.318 16.994 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -30.329 -7.054 15.494 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -30.639 -8.279 16.748 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -30.091 -8.779 15.130 1.00 0.00 H new ATOM 397 N GLY A 68 -34.157 -9.678 13.547 1.00 0.00 N ATOM 398 CA GLY A 68 -35.436 -9.778 12.869 1.00 0.00 C ATOM 399 C GLY A 68 -36.251 -10.965 13.342 1.00 0.00 C ATOM 400 O GLY A 68 -37.375 -10.805 13.821 1.00 0.00 O ATOM 0 H GLY A 68 -33.350 -9.598 12.929 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -36.004 -8.862 13.034 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -35.269 -9.860 11.795 1.00 0.00 H new ATOM 404 N LEU A 69 -35.687 -12.160 13.206 1.00 0.00 N ATOM 405 CA LEU A 69 -36.370 -13.380 13.622 1.00 0.00 C ATOM 406 C LEU A 69 -36.756 -13.313 15.096 1.00 0.00 C ATOM 407 O LEU A 69 -37.875 -13.663 15.473 1.00 0.00 O ATOM 408 CB LEU A 69 -35.478 -14.597 13.371 1.00 0.00 C ATOM 409 CG LEU A 69 -35.349 -15.046 11.915 1.00 0.00 C ATOM 410 CD1 LEU A 69 -34.434 -16.256 11.809 1.00 0.00 C ATOM 411 CD2 LEU A 69 -36.718 -15.358 11.330 1.00 0.00 C ATOM 0 H LEU A 69 -34.759 -12.310 12.811 1.00 0.00 H new ATOM 0 HA LEU A 69 -37.281 -13.477 13.032 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -34.481 -14.376 13.752 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -35.865 -15.432 13.955 1.00 0.00 H new ATOM 0 HG LEU A 69 -34.908 -14.231 11.341 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -34.354 -16.561 10.766 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -33.445 -15.999 12.189 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -34.846 -17.076 12.397 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -36.607 -15.676 10.293 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -37.187 -16.156 11.906 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -37.343 -14.466 11.371 1.00 0.00 H new ATOM 423 N THR A 70 -35.823 -12.859 15.927 1.00 0.00 N ATOM 424 CA THR A 70 -36.065 -12.744 17.359 1.00 0.00 C ATOM 425 C THR A 70 -37.350 -11.972 17.640 1.00 0.00 C ATOM 426 O THR A 70 -38.081 -12.285 18.580 1.00 0.00 O ATOM 427 CB THR A 70 -34.893 -12.045 18.073 1.00 0.00 C ATOM 428 OG1 THR A 70 -33.717 -12.858 17.997 1.00 0.00 O ATOM 429 CG2 THR A 70 -35.233 -11.771 19.531 1.00 0.00 C ATOM 0 H THR A 70 -34.892 -12.565 15.632 1.00 0.00 H new ATOM 0 HA THR A 70 -36.162 -13.759 17.745 1.00 0.00 H new ATOM 0 HB THR A 70 -34.709 -11.094 17.574 1.00 0.00 H new ATOM 0 HG1 THR A 70 -33.348 -12.816 17.090 1.00 0.00 H new ATOM 0 HG21 THR A 70 -34.390 -11.277 20.014 1.00 0.00 H new ATOM 0 HG22 THR A 70 -36.111 -11.127 19.585 1.00 0.00 H new ATOM 0 HG23 THR A 70 -35.442 -12.712 20.039 1.00 0.00 H new ATOM 437 N PHE A 71 -37.619 -10.963 16.818 1.00 0.00 N ATOM 438 CA PHE A 71 -38.816 -10.146 16.978 1.00 0.00 C ATOM 439 C PHE A 71 -40.065 -10.925 16.573 1.00 0.00 C ATOM 440 O PHE A 71 -41.057 -10.950 17.301 1.00 0.00 O ATOM 441 CB PHE A 71 -38.704 -8.870 16.142 1.00 0.00 C ATOM 442 CG PHE A 71 -39.943 -8.021 16.174 1.00 0.00 C ATOM 443 CD1 PHE A 71 -40.455 -7.565 17.378 1.00 0.00 C ATOM 444 CD2 PHE A 71 -40.595 -7.679 15.000 1.00 0.00 C ATOM 445 CE1 PHE A 71 -41.595 -6.784 17.410 1.00 0.00 C ATOM 446 CE2 PHE A 71 -41.736 -6.899 15.026 1.00 0.00 C ATOM 447 CZ PHE A 71 -42.236 -6.450 16.233 1.00 0.00 C ATOM 0 H PHE A 71 -37.025 -10.692 16.035 1.00 0.00 H new ATOM 0 HA PHE A 71 -38.903 -9.876 18.030 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -37.861 -8.281 16.503 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -38.485 -9.140 15.109 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -39.958 -7.823 18.302 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -40.207 -8.026 14.054 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -41.984 -6.435 18.355 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -42.236 -6.641 14.104 1.00 0.00 H new ATOM 0 HZ PHE A 71 -43.126 -5.839 16.256 1.00 0.00 H new ATOM 457 N ALA A 72 -40.006 -11.558 15.406 1.00 0.00 N ATOM 458 CA ALA A 72 -41.130 -12.339 14.904 1.00 0.00 C ATOM 459 C ALA A 72 -41.405 -13.544 15.798 1.00 0.00 C ATOM 460 O ALA A 72 -42.526 -14.048 15.850 1.00 0.00 O ATOM 461 CB ALA A 72 -40.864 -12.789 13.475 1.00 0.00 C ATOM 0 H ALA A 72 -39.192 -11.545 14.791 1.00 0.00 H new ATOM 0 HA ALA A 72 -42.015 -11.703 14.914 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -41.712 -13.371 13.113 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -40.726 -11.915 12.838 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -39.964 -13.403 13.449 1.00 0.00 H new ATOM 467 N VAL A 73 -40.372 -14.002 16.499 1.00 0.00 N ATOM 468 CA VAL A 73 -40.502 -15.148 17.391 1.00 0.00 C ATOM 469 C VAL A 73 -41.054 -14.728 18.748 1.00 0.00 C ATOM 470 O VAL A 73 -41.955 -15.369 19.289 1.00 0.00 O ATOM 471 CB VAL A 73 -39.150 -15.857 17.595 1.00 0.00 C ATOM 472 CG1 VAL A 73 -39.293 -17.007 18.580 1.00 0.00 C ATOM 473 CG2 VAL A 73 -38.600 -16.348 16.265 1.00 0.00 C ATOM 0 H VAL A 73 -39.436 -13.597 16.466 1.00 0.00 H new ATOM 0 HA VAL A 73 -41.198 -15.840 16.918 1.00 0.00 H new ATOM 0 HB VAL A 73 -38.443 -15.140 18.012 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -38.328 -17.496 18.711 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -39.639 -16.623 19.540 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -40.015 -17.727 18.196 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -37.644 -16.846 16.428 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -39.304 -17.050 15.817 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -38.457 -15.500 15.595 1.00 0.00 H new ATOM 483 N TYR A 74 -40.507 -13.648 19.294 1.00 0.00 N ATOM 484 CA TYR A 74 -40.943 -13.142 20.590 1.00 0.00 C ATOM 485 C TYR A 74 -42.437 -12.833 20.580 1.00 0.00 C ATOM 486 O TYR A 74 -43.153 -13.137 21.534 1.00 0.00 O ATOM 487 CB TYR A 74 -40.154 -11.886 20.963 1.00 0.00 C ATOM 488 CG TYR A 74 -40.276 -11.505 22.421 1.00 0.00 C ATOM 489 CD1 TYR A 74 -39.397 -12.013 23.369 1.00 0.00 C ATOM 490 CD2 TYR A 74 -41.272 -10.635 22.850 1.00 0.00 C ATOM 491 CE1 TYR A 74 -39.506 -11.667 24.702 1.00 0.00 C ATOM 492 CE2 TYR A 74 -41.387 -10.283 24.181 1.00 0.00 C ATOM 493 CZ TYR A 74 -40.503 -10.802 25.103 1.00 0.00 C ATOM 494 OH TYR A 74 -40.614 -10.454 26.430 1.00 0.00 O ATOM 0 H TYR A 74 -39.760 -13.106 18.859 1.00 0.00 H new ATOM 0 HA TYR A 74 -40.755 -13.915 21.335 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -39.102 -12.044 20.724 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -40.499 -11.054 20.349 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -38.615 -12.690 23.059 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -41.967 -10.228 22.131 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -38.814 -12.072 25.426 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -42.165 -9.605 24.498 1.00 0.00 H new ATOM 0 HH TYR A 74 -41.366 -9.837 26.544 1.00 0.00 H new ATOM 504 N VAL A 75 -42.902 -12.226 19.493 1.00 0.00 N ATOM 505 CA VAL A 75 -44.311 -11.876 19.355 1.00 0.00 C ATOM 506 C VAL A 75 -45.180 -13.125 19.263 1.00 0.00 C ATOM 507 O VAL A 75 -46.203 -13.233 19.940 1.00 0.00 O ATOM 508 CB VAL A 75 -44.553 -11.002 18.110 1.00 0.00 C ATOM 509 CG1 VAL A 75 -46.040 -10.740 17.923 1.00 0.00 C ATOM 510 CG2 VAL A 75 -43.783 -9.695 18.219 1.00 0.00 C ATOM 0 H VAL A 75 -42.323 -11.966 18.694 1.00 0.00 H new ATOM 0 HA VAL A 75 -44.586 -11.310 20.245 1.00 0.00 H new ATOM 0 HB VAL A 75 -44.190 -11.539 17.234 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -46.192 -10.121 17.039 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -46.563 -11.688 17.797 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -46.431 -10.223 18.799 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -43.966 -9.090 17.331 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -44.114 -9.150 19.103 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -42.717 -9.907 18.301 1.00 0.00 H new ATOM 520 N ARG A 76 -44.767 -14.066 18.421 1.00 0.00 N ATOM 521 CA ARG A 76 -45.509 -15.308 18.239 1.00 0.00 C ATOM 522 C ARG A 76 -45.754 -15.996 19.579 1.00 0.00 C ATOM 523 O ARG A 76 -46.803 -16.603 19.794 1.00 0.00 O ATOM 524 CB ARG A 76 -44.749 -16.249 17.303 1.00 0.00 C ATOM 525 CG ARG A 76 -44.809 -15.834 15.842 1.00 0.00 C ATOM 526 CD ARG A 76 -45.748 -16.728 15.047 1.00 0.00 C ATOM 527 NE ARG A 76 -45.025 -17.753 14.300 1.00 0.00 N ATOM 528 CZ ARG A 76 -45.596 -18.548 13.402 1.00 0.00 C ATOM 529 NH1 ARG A 76 -46.891 -18.436 13.141 1.00 0.00 N ATOM 530 NH2 ARG A 76 -44.872 -19.458 12.763 1.00 0.00 N ATOM 0 H ARG A 76 -43.922 -13.992 17.854 1.00 0.00 H new ATOM 0 HA ARG A 76 -46.473 -15.064 17.793 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -43.706 -16.295 17.616 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -45.157 -17.255 17.403 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -45.143 -14.799 15.770 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -43.810 -15.878 15.409 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -46.455 -17.205 15.725 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -46.330 -16.119 14.356 1.00 0.00 H new ATOM 0 HE ARG A 76 -44.027 -17.865 14.477 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -47.451 -17.738 13.630 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -47.327 -19.048 12.451 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -43.875 -19.548 12.961 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -45.312 -20.068 12.074 1.00 0.00 H new ATOM 544 N ARG A 77 -44.779 -15.896 20.477 1.00 0.00 N ATOM 545 CA ARG A 77 -44.888 -16.509 21.795 1.00 0.00 C ATOM 546 C ARG A 77 -46.133 -16.013 22.524 1.00 0.00 C ATOM 547 O ARG A 77 -46.644 -16.677 23.426 1.00 0.00 O ATOM 548 CB ARG A 77 -43.641 -16.205 22.627 1.00 0.00 C ATOM 549 CG ARG A 77 -42.379 -16.864 22.097 1.00 0.00 C ATOM 550 CD ARG A 77 -42.169 -18.240 22.709 1.00 0.00 C ATOM 551 NE ARG A 77 -41.950 -18.169 24.151 1.00 0.00 N ATOM 552 CZ ARG A 77 -41.374 -19.137 24.855 1.00 0.00 C ATOM 553 NH1 ARG A 77 -40.961 -20.244 24.253 1.00 0.00 N ATOM 554 NH2 ARG A 77 -41.210 -18.999 26.165 1.00 0.00 N ATOM 0 H ARG A 77 -43.905 -15.396 20.315 1.00 0.00 H new ATOM 0 HA ARG A 77 -44.972 -17.587 21.661 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -43.491 -15.126 22.660 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -43.810 -16.535 23.652 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -42.442 -16.953 21.012 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -41.518 -16.232 22.316 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -43.039 -18.864 22.505 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -41.313 -18.721 22.235 1.00 0.00 H new ATOM 0 HE ARG A 77 -42.256 -17.330 24.645 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -41.085 -20.354 23.247 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -40.519 -20.986 24.796 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -41.526 -18.149 26.632 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -40.768 -19.743 26.705 1.00 0.00 H new ATOM 568 N LYS A 78 -46.617 -14.841 22.128 1.00 0.00 N ATOM 569 CA LYS A 78 -47.802 -14.254 22.742 1.00 0.00 C ATOM 570 C LYS A 78 -49.074 -14.845 22.142 1.00 0.00 C ATOM 571 O LYS A 78 -50.079 -15.013 22.833 1.00 0.00 O ATOM 572 CB LYS A 78 -47.798 -12.735 22.560 1.00 0.00 C ATOM 573 CG LYS A 78 -47.744 -11.966 23.869 1.00 0.00 C ATOM 574 CD LYS A 78 -47.288 -10.532 23.656 1.00 0.00 C ATOM 575 CE LYS A 78 -46.095 -10.190 24.535 1.00 0.00 C ATOM 576 NZ LYS A 78 -46.371 -10.460 25.973 1.00 0.00 N ATOM 0 H LYS A 78 -46.206 -14.278 21.383 1.00 0.00 H new ATOM 0 HA LYS A 78 -47.781 -14.485 23.807 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -46.942 -12.453 21.947 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -48.693 -12.441 22.012 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -48.729 -11.970 24.335 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -47.064 -12.466 24.558 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -47.024 -10.385 22.609 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -48.110 -9.851 23.876 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -45.230 -10.771 24.216 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -45.838 -9.139 24.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -45.825 -9.799 26.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -47.386 -10.334 26.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -46.095 -11.436 26.202 1.00 0.00 H new ATOM 875 N LEU B 52 -10.941 -7.210 8.840 1.00 0.00 N ATOM 876 CA LEU B 52 -11.977 -8.234 8.770 1.00 0.00 C ATOM 877 C LEU B 52 -12.889 -8.171 9.991 1.00 0.00 C ATOM 878 O LEU B 52 -14.060 -7.807 9.885 1.00 0.00 O ATOM 879 CB LEU B 52 -11.344 -9.622 8.662 1.00 0.00 C ATOM 880 CG LEU B 52 -12.316 -10.800 8.592 1.00 0.00 C ATOM 881 CD1 LEU B 52 -13.153 -10.727 7.324 1.00 0.00 C ATOM 882 CD2 LEU B 52 -11.562 -12.120 8.660 1.00 0.00 C ATOM 0 HA LEU B 52 -12.579 -8.046 7.881 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -10.714 -9.644 7.773 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -10.689 -9.768 9.521 1.00 0.00 H new ATOM 0 HG LEU B 52 -12.986 -10.744 9.450 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -13.839 -11.574 7.292 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -13.723 -9.798 7.317 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -12.498 -10.757 6.453 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -12.270 -12.947 8.609 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -10.867 -12.185 7.823 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -11.008 -12.175 9.597 1.00 0.00 H new ATOM 894 N ILE B 53 -12.343 -8.526 11.149 1.00 0.00 N ATOM 895 CA ILE B 53 -13.106 -8.507 12.391 1.00 0.00 C ATOM 896 C ILE B 53 -13.725 -7.135 12.634 1.00 0.00 C ATOM 897 O ILE B 53 -14.903 -7.025 12.970 1.00 0.00 O ATOM 898 CB ILE B 53 -12.226 -8.883 13.598 1.00 0.00 C ATOM 899 CG1 ILE B 53 -11.537 -10.227 13.356 1.00 0.00 C ATOM 900 CG2 ILE B 53 -13.063 -8.931 14.868 1.00 0.00 C ATOM 901 CD1 ILE B 53 -10.661 -10.673 14.506 1.00 0.00 C ATOM 0 H ILE B 53 -11.375 -8.830 11.253 1.00 0.00 H new ATOM 0 HA ILE B 53 -13.899 -9.247 12.286 1.00 0.00 H new ATOM 0 HB ILE B 53 -11.457 -8.120 13.721 1.00 0.00 H new ATOM 0 HG12 ILE B 53 -12.296 -10.987 13.172 1.00 0.00 H new ATOM 0 HG13 ILE B 53 -10.930 -10.158 12.453 1.00 0.00 H new ATOM 0 HG21 ILE B 53 -12.428 -9.198 15.713 1.00 0.00 H new ATOM 0 HG22 ILE B 53 -13.511 -7.953 15.046 1.00 0.00 H new ATOM 0 HG23 ILE B 53 -13.851 -9.676 14.757 1.00 0.00 H new ATOM 0 HD11 ILE B 53 -10.205 -11.633 14.265 1.00 0.00 H new ATOM 0 HD12 ILE B 53 -9.880 -9.933 14.677 1.00 0.00 H new ATOM 0 HD13 ILE B 53 -11.267 -10.775 15.406 1.00 0.00 H new ATOM 913 N ALA B 54 -12.921 -6.090 12.461 1.00 0.00 N ATOM 914 CA ALA B 54 -13.391 -4.725 12.658 1.00 0.00 C ATOM 915 C ALA B 54 -14.671 -4.465 11.872 1.00 0.00 C ATOM 916 O ALA B 54 -15.711 -4.148 12.448 1.00 0.00 O ATOM 917 CB ALA B 54 -12.311 -3.732 12.254 1.00 0.00 C ATOM 0 H ALA B 54 -11.942 -6.164 12.185 1.00 0.00 H new ATOM 0 HA ALA B 54 -13.614 -4.594 13.717 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -12.675 -2.716 12.406 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -11.422 -3.894 12.863 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -12.061 -3.874 11.203 1.00 0.00 H new ATOM 923 N ALA B 55 -14.588 -4.602 10.553 1.00 0.00 N ATOM 924 CA ALA B 55 -15.740 -4.384 9.687 1.00 0.00 C ATOM 925 C ALA B 55 -16.946 -5.185 10.167 1.00 0.00 C ATOM 926 O ALA B 55 -18.086 -4.734 10.060 1.00 0.00 O ATOM 927 CB ALA B 55 -15.399 -4.749 8.251 1.00 0.00 C ATOM 0 H ALA B 55 -13.734 -4.863 10.060 1.00 0.00 H new ATOM 0 HA ALA B 55 -15.999 -3.326 9.728 1.00 0.00 H new ATOM 0 HB1 ALA B 55 -16.269 -4.581 7.616 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -14.572 -4.129 7.905 1.00 0.00 H new ATOM 0 HB3 ALA B 55 -15.111 -5.799 8.201 1.00 0.00 H new ATOM 933 N GLY B 56 -16.686 -6.377 10.695 1.00 0.00 N ATOM 934 CA GLY B 56 -17.760 -7.223 11.182 1.00 0.00 C ATOM 935 C GLY B 56 -18.577 -6.554 12.270 1.00 0.00 C ATOM 936 O GLY B 56 -19.792 -6.407 12.143 1.00 0.00 O ATOM 0 H GLY B 56 -15.751 -6.772 10.794 1.00 0.00 H new ATOM 0 HA2 GLY B 56 -18.414 -7.488 10.352 1.00 0.00 H new ATOM 0 HA3 GLY B 56 -17.340 -8.153 11.567 1.00 0.00 H new ATOM 940 N VAL B 57 -17.908 -6.149 13.345 1.00 0.00 N ATOM 941 CA VAL B 57 -18.579 -5.493 14.461 1.00 0.00 C ATOM 942 C VAL B 57 -19.183 -4.161 14.032 1.00 0.00 C ATOM 943 O VAL B 57 -20.265 -3.784 14.484 1.00 0.00 O ATOM 944 CB VAL B 57 -17.611 -5.251 15.635 1.00 0.00 C ATOM 945 CG1 VAL B 57 -18.366 -4.748 16.855 1.00 0.00 C ATOM 946 CG2 VAL B 57 -16.841 -6.522 15.960 1.00 0.00 C ATOM 0 H VAL B 57 -16.902 -6.264 13.467 1.00 0.00 H new ATOM 0 HA VAL B 57 -19.375 -6.161 14.789 1.00 0.00 H new ATOM 0 HB VAL B 57 -16.894 -4.484 15.341 1.00 0.00 H new ATOM 0 HG11 VAL B 57 -17.666 -4.583 17.674 1.00 0.00 H new ATOM 0 HG12 VAL B 57 -18.867 -3.811 16.612 1.00 0.00 H new ATOM 0 HG13 VAL B 57 -19.107 -5.489 17.155 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -16.162 -6.333 16.791 1.00 0.00 H new ATOM 0 HG22 VAL B 57 -17.541 -7.311 16.235 1.00 0.00 H new ATOM 0 HG23 VAL B 57 -16.268 -6.833 15.087 1.00 0.00 H new ATOM 956 N ILE B 58 -18.478 -3.452 13.157 1.00 0.00 N ATOM 957 CA ILE B 58 -18.946 -2.162 12.666 1.00 0.00 C ATOM 958 C ILE B 58 -20.229 -2.314 11.855 1.00 0.00 C ATOM 959 O ILE B 58 -21.192 -1.575 12.052 1.00 0.00 O ATOM 960 CB ILE B 58 -17.881 -1.471 11.794 1.00 0.00 C ATOM 961 CG1 ILE B 58 -16.644 -1.137 12.631 1.00 0.00 C ATOM 962 CG2 ILE B 58 -18.452 -0.213 11.157 1.00 0.00 C ATOM 963 CD1 ILE B 58 -15.497 -0.579 11.818 1.00 0.00 C ATOM 0 H ILE B 58 -17.581 -3.749 12.774 1.00 0.00 H new ATOM 0 HA ILE B 58 -19.144 -1.545 13.542 1.00 0.00 H new ATOM 0 HB ILE B 58 -17.585 -2.155 10.998 1.00 0.00 H new ATOM 0 HG12 ILE B 58 -16.919 -0.415 13.399 1.00 0.00 H new ATOM 0 HG13 ILE B 58 -16.310 -2.038 13.146 1.00 0.00 H new ATOM 0 HG21 ILE B 58 -17.687 0.264 10.544 1.00 0.00 H new ATOM 0 HG22 ILE B 58 -19.305 -0.477 10.532 1.00 0.00 H new ATOM 0 HG23 ILE B 58 -18.773 0.477 11.938 1.00 0.00 H new ATOM 0 HD11 ILE B 58 -14.655 -0.365 12.476 1.00 0.00 H new ATOM 0 HD12 ILE B 58 -15.195 -1.309 11.067 1.00 0.00 H new ATOM 0 HD13 ILE B 58 -15.814 0.340 11.324 1.00 0.00 H new ATOM 975 N GLY B 59 -20.234 -3.282 10.943 1.00 0.00 N ATOM 976 CA GLY B 59 -21.404 -3.516 10.117 1.00 0.00 C ATOM 977 C GLY B 59 -22.643 -3.815 10.938 1.00 0.00 C ATOM 978 O GLY B 59 -23.688 -3.193 10.748 1.00 0.00 O ATOM 0 H GLY B 59 -19.449 -3.908 10.762 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -21.587 -2.640 9.495 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -21.208 -4.350 9.443 1.00 0.00 H new ATOM 982 N GLY B 60 -22.528 -4.772 11.854 1.00 0.00 N ATOM 983 CA GLY B 60 -23.655 -5.137 12.692 1.00 0.00 C ATOM 984 C GLY B 60 -24.194 -3.961 13.483 1.00 0.00 C ATOM 985 O GLY B 60 -25.408 -3.789 13.603 1.00 0.00 O ATOM 0 H GLY B 60 -21.674 -5.301 12.031 1.00 0.00 H new ATOM 0 HA2 GLY B 60 -24.450 -5.547 12.069 1.00 0.00 H new ATOM 0 HA3 GLY B 60 -23.352 -5.926 13.381 1.00 0.00 H new ATOM 989 N LEU B 61 -23.292 -3.151 14.025 1.00 0.00 N ATOM 990 CA LEU B 61 -23.683 -1.986 14.810 1.00 0.00 C ATOM 991 C LEU B 61 -24.324 -0.922 13.924 1.00 0.00 C ATOM 992 O LEU B 61 -25.478 -0.543 14.127 1.00 0.00 O ATOM 993 CB LEU B 61 -22.468 -1.400 15.531 1.00 0.00 C ATOM 994 CG LEU B 61 -22.010 -2.143 16.787 1.00 0.00 C ATOM 995 CD1 LEU B 61 -20.668 -1.610 17.262 1.00 0.00 C ATOM 996 CD2 LEU B 61 -23.054 -2.023 17.888 1.00 0.00 C ATOM 0 H LEU B 61 -22.284 -3.280 13.935 1.00 0.00 H new ATOM 0 HA LEU B 61 -24.416 -2.307 15.549 1.00 0.00 H new ATOM 0 HB2 LEU B 61 -21.635 -1.367 14.829 1.00 0.00 H new ATOM 0 HB3 LEU B 61 -22.695 -0.370 15.805 1.00 0.00 H new ATOM 0 HG LEU B 61 -21.892 -3.198 16.540 1.00 0.00 H new ATOM 0 HD11 LEU B 61 -20.358 -2.150 18.156 1.00 0.00 H new ATOM 0 HD12 LEU B 61 -19.923 -1.748 16.478 1.00 0.00 H new ATOM 0 HD13 LEU B 61 -20.759 -0.549 17.493 1.00 0.00 H new ATOM 0 HD21 LEU B 61 -22.711 -2.558 18.774 1.00 0.00 H new ATOM 0 HD22 LEU B 61 -23.204 -0.972 18.134 1.00 0.00 H new ATOM 0 HD23 LEU B 61 -23.995 -2.454 17.546 1.00 0.00 H new ATOM 1008 N PHE B 62 -23.570 -0.447 12.939 1.00 0.00 N ATOM 1009 CA PHE B 62 -24.064 0.572 12.020 1.00 0.00 C ATOM 1010 C PHE B 62 -25.409 0.163 11.427 1.00 0.00 C ATOM 1011 O PHE B 62 -26.398 0.887 11.545 1.00 0.00 O ATOM 1012 CB PHE B 62 -23.052 0.813 10.899 1.00 0.00 C ATOM 1013 CG PHE B 62 -23.307 2.073 10.121 1.00 0.00 C ATOM 1014 CD1 PHE B 62 -23.596 3.260 10.775 1.00 0.00 C ATOM 1015 CD2 PHE B 62 -23.257 2.069 8.737 1.00 0.00 C ATOM 1016 CE1 PHE B 62 -23.832 4.419 10.061 1.00 0.00 C ATOM 1017 CE2 PHE B 62 -23.492 3.226 8.018 1.00 0.00 C ATOM 1018 CZ PHE B 62 -23.779 4.403 8.681 1.00 0.00 C ATOM 0 H PHE B 62 -22.614 -0.751 12.756 1.00 0.00 H new ATOM 0 HA PHE B 62 -24.200 1.496 12.581 1.00 0.00 H new ATOM 0 HB2 PHE B 62 -22.051 0.857 11.328 1.00 0.00 H new ATOM 0 HB3 PHE B 62 -23.070 -0.036 10.216 1.00 0.00 H new ATOM 0 HD1 PHE B 62 -23.637 3.279 11.854 1.00 0.00 H new ATOM 0 HD2 PHE B 62 -23.032 1.152 8.214 1.00 0.00 H new ATOM 0 HE1 PHE B 62 -24.058 5.338 10.582 1.00 0.00 H new ATOM 0 HE2 PHE B 62 -23.451 3.210 6.939 1.00 0.00 H new ATOM 0 HZ PHE B 62 -23.962 5.309 8.122 1.00 0.00 H new ATOM 1028 N ILE B 63 -25.437 -1.003 10.789 1.00 0.00 N ATOM 1029 CA ILE B 63 -26.660 -1.509 10.178 1.00 0.00 C ATOM 1030 C ILE B 63 -27.810 -1.523 11.179 1.00 0.00 C ATOM 1031 O ILE B 63 -28.940 -1.163 10.848 1.00 0.00 O ATOM 1032 CB ILE B 63 -26.463 -2.930 9.619 1.00 0.00 C ATOM 1033 CG1 ILE B 63 -25.469 -2.911 8.456 1.00 0.00 C ATOM 1034 CG2 ILE B 63 -27.795 -3.514 9.174 1.00 0.00 C ATOM 1035 CD1 ILE B 63 -25.975 -2.168 7.240 1.00 0.00 C ATOM 0 H ILE B 63 -24.627 -1.614 10.682 1.00 0.00 H new ATOM 0 HA ILE B 63 -26.905 -0.835 9.357 1.00 0.00 H new ATOM 0 HB ILE B 63 -26.057 -3.562 10.409 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -24.539 -2.452 8.791 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -25.234 -3.937 8.173 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -27.639 -4.519 8.781 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -28.475 -3.559 10.025 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -28.227 -2.884 8.397 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -25.218 -2.196 6.456 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -26.889 -2.640 6.879 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -26.183 -1.132 7.507 1.00 0.00 H new ATOM 1047 N LEU B 64 -27.514 -1.941 12.405 1.00 0.00 N ATOM 1048 CA LEU B 64 -28.523 -2.001 13.457 1.00 0.00 C ATOM 1049 C LEU B 64 -28.997 -0.602 13.837 1.00 0.00 C ATOM 1050 O LEU B 64 -30.181 -0.385 14.095 1.00 0.00 O ATOM 1051 CB LEU B 64 -27.963 -2.714 14.689 1.00 0.00 C ATOM 1052 CG LEU B 64 -28.053 -4.240 14.680 1.00 0.00 C ATOM 1053 CD1 LEU B 64 -27.190 -4.832 15.783 1.00 0.00 C ATOM 1054 CD2 LEU B 64 -29.498 -4.690 14.831 1.00 0.00 C ATOM 0 H LEU B 64 -26.584 -2.243 12.695 1.00 0.00 H new ATOM 0 HA LEU B 64 -29.376 -2.563 13.076 1.00 0.00 H new ATOM 0 HB2 LEU B 64 -26.916 -2.432 14.802 1.00 0.00 H new ATOM 0 HB3 LEU B 64 -28.490 -2.344 15.569 1.00 0.00 H new ATOM 0 HG LEU B 64 -27.680 -4.601 13.722 1.00 0.00 H new ATOM 0 HD11 LEU B 64 -27.267 -5.919 15.761 1.00 0.00 H new ATOM 0 HD12 LEU B 64 -26.152 -4.538 15.630 1.00 0.00 H new ATOM 0 HD13 LEU B 64 -27.532 -4.464 16.750 1.00 0.00 H new ATOM 0 HD21 LEU B 64 -29.543 -5.779 14.822 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -29.898 -4.318 15.774 1.00 0.00 H new ATOM 0 HD23 LEU B 64 -30.090 -4.296 14.005 1.00 0.00 H new ATOM 1066 N VAL B 65 -28.065 0.346 13.867 1.00 0.00 N ATOM 1067 CA VAL B 65 -28.388 1.725 14.212 1.00 0.00 C ATOM 1068 C VAL B 65 -29.466 2.284 13.290 1.00 0.00 C ATOM 1069 O VAL B 65 -30.444 2.874 13.749 1.00 0.00 O ATOM 1070 CB VAL B 65 -27.143 2.628 14.136 1.00 0.00 C ATOM 1071 CG1 VAL B 65 -27.510 4.071 14.451 1.00 0.00 C ATOM 1072 CG2 VAL B 65 -26.062 2.126 15.081 1.00 0.00 C ATOM 0 H VAL B 65 -27.080 0.184 13.656 1.00 0.00 H new ATOM 0 HA VAL B 65 -28.760 1.717 15.237 1.00 0.00 H new ATOM 0 HB VAL B 65 -26.751 2.591 13.120 1.00 0.00 H new ATOM 0 HG11 VAL B 65 -26.618 4.694 14.393 1.00 0.00 H new ATOM 0 HG12 VAL B 65 -28.248 4.424 13.730 1.00 0.00 H new ATOM 0 HG13 VAL B 65 -27.928 4.129 15.456 1.00 0.00 H new ATOM 0 HG21 VAL B 65 -25.190 2.776 15.014 1.00 0.00 H new ATOM 0 HG22 VAL B 65 -26.441 2.131 16.103 1.00 0.00 H new ATOM 0 HG23 VAL B 65 -25.780 1.110 14.804 1.00 0.00 H new ATOM 1082 N ILE B 66 -29.279 2.095 11.988 1.00 0.00 N ATOM 1083 CA ILE B 66 -30.237 2.579 11.002 1.00 0.00 C ATOM 1084 C ILE B 66 -31.591 1.899 11.169 1.00 0.00 C ATOM 1085 O ILE B 66 -32.613 2.562 11.349 1.00 0.00 O ATOM 1086 CB ILE B 66 -29.732 2.346 9.565 1.00 0.00 C ATOM 1087 CG1 ILE B 66 -28.355 2.986 9.375 1.00 0.00 C ATOM 1088 CG2 ILE B 66 -30.726 2.904 8.557 1.00 0.00 C ATOM 1089 CD1 ILE B 66 -27.274 1.994 9.008 1.00 0.00 C ATOM 0 H ILE B 66 -28.474 1.611 11.592 1.00 0.00 H new ATOM 0 HA ILE B 66 -30.349 3.650 11.171 1.00 0.00 H new ATOM 0 HB ILE B 66 -29.639 1.273 9.398 1.00 0.00 H new ATOM 0 HG12 ILE B 66 -28.420 3.745 8.595 1.00 0.00 H new ATOM 0 HG13 ILE B 66 -28.071 3.497 10.295 1.00 0.00 H new ATOM 0 HG21 ILE B 66 -30.355 2.732 7.547 1.00 0.00 H new ATOM 0 HG22 ILE B 66 -31.688 2.406 8.680 1.00 0.00 H new ATOM 0 HG23 ILE B 66 -30.848 3.975 8.721 1.00 0.00 H new ATOM 0 HD11 ILE B 66 -26.325 2.517 8.889 1.00 0.00 H new ATOM 0 HD12 ILE B 66 -27.181 1.249 9.798 1.00 0.00 H new ATOM 0 HD13 ILE B 66 -27.536 1.500 8.072 1.00 0.00 H new ATOM 1101 N VAL B 67 -31.591 0.571 11.111 1.00 0.00 N ATOM 1102 CA VAL B 67 -32.819 -0.201 11.260 1.00 0.00 C ATOM 1103 C VAL B 67 -33.552 0.174 12.543 1.00 0.00 C ATOM 1104 O VAL B 67 -34.732 0.523 12.518 1.00 0.00 O ATOM 1105 CB VAL B 67 -32.534 -1.714 11.268 1.00 0.00 C ATOM 1106 CG1 VAL B 67 -33.834 -2.503 11.295 1.00 0.00 C ATOM 1107 CG2 VAL B 67 -31.689 -2.103 10.065 1.00 0.00 C ATOM 0 H VAL B 67 -30.754 0.007 10.962 1.00 0.00 H new ATOM 0 HA VAL B 67 -33.448 0.038 10.403 1.00 0.00 H new ATOM 0 HB VAL B 67 -31.973 -1.955 12.171 1.00 0.00 H new ATOM 0 HG11 VAL B 67 -33.612 -3.570 11.300 1.00 0.00 H new ATOM 0 HG12 VAL B 67 -34.398 -2.245 12.192 1.00 0.00 H new ATOM 0 HG13 VAL B 67 -34.426 -2.260 10.412 1.00 0.00 H new ATOM 0 HG21 VAL B 67 -31.497 -3.176 10.087 1.00 0.00 H new ATOM 0 HG22 VAL B 67 -32.221 -1.848 9.149 1.00 0.00 H new ATOM 0 HG23 VAL B 67 -30.742 -1.564 10.096 1.00 0.00 H new