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 88:sc= 1.19 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 -11.994 -9.775 2.243 1.00 0.00 N ATOM 142 CA PRO A 51 -12.543 -10.100 3.562 1.00 0.00 C ATOM 143 C PRO A 51 -13.240 -8.908 4.209 1.00 0.00 C ATOM 144 O PRO A 51 -14.297 -9.052 4.825 1.00 0.00 O ATOM 145 CB PRO A 51 -11.308 -10.501 4.372 1.00 0.00 C ATOM 146 CG PRO A 51 -10.175 -9.798 3.707 1.00 0.00 C ATOM 147 CD PRO A 51 -10.522 -9.744 2.245 1.00 0.00 C ATOM 0 HA PRO A 51 -13.304 -10.879 3.506 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.404 -10.200 5.415 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.163 -11.581 4.364 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -10.045 -8.795 4.114 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.238 -10.331 3.866 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.138 -8.839 1.774 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.101 -10.589 1.701 1.00 0.00 H new ATOM 155 N LEU A 52 -12.642 -7.730 4.067 1.00 0.00 N ATOM 156 CA LEU A 52 -13.206 -6.512 4.637 1.00 0.00 C ATOM 157 C LEU A 52 -14.647 -6.312 4.178 1.00 0.00 C ATOM 158 O LEU A 52 -15.582 -6.420 4.972 1.00 0.00 O ATOM 159 CB LEU A 52 -12.360 -5.300 4.241 1.00 0.00 C ATOM 160 CG LEU A 52 -12.861 -3.942 4.734 1.00 0.00 C ATOM 161 CD1 LEU A 52 -12.841 -3.885 6.254 1.00 0.00 C ATOM 162 CD2 LEU A 52 -12.020 -2.818 4.146 1.00 0.00 C ATOM 0 H LEU A 52 -11.767 -7.593 3.562 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.200 -6.612 5.722 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.348 -5.450 4.617 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.294 -5.268 3.153 1.00 0.00 H new ATOM 0 HG LEU A 52 -13.890 -3.813 4.399 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -13.201 -2.911 6.586 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -13.486 -4.667 6.656 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.822 -4.036 6.610 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.391 -1.859 4.508 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.981 -2.944 4.450 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -12.085 -2.846 3.058 1.00 0.00 H new ATOM 174 N ILE A 53 -14.818 -6.022 2.893 1.00 0.00 N ATOM 175 CA ILE A 53 -16.145 -5.810 2.328 1.00 0.00 C ATOM 176 C ILE A 53 -17.056 -7.002 2.603 1.00 0.00 C ATOM 177 O ILE A 53 -18.205 -6.837 3.010 1.00 0.00 O ATOM 178 CB ILE A 53 -16.079 -5.569 0.808 1.00 0.00 C ATOM 179 CG1 ILE A 53 -15.131 -4.409 0.495 1.00 0.00 C ATOM 180 CG2 ILE A 53 -17.468 -5.290 0.255 1.00 0.00 C ATOM 181 CD1 ILE A 53 -15.661 -3.062 0.932 1.00 0.00 C ATOM 0 H ILE A 53 -14.054 -5.928 2.223 1.00 0.00 H new ATOM 0 HA ILE A 53 -16.555 -4.923 2.810 1.00 0.00 H new ATOM 0 HB ILE A 53 -15.693 -6.468 0.328 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -14.174 -4.590 0.984 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -14.941 -4.385 -0.578 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -17.405 -5.122 -0.820 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -18.116 -6.144 0.451 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -17.880 -4.404 0.737 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -14.938 -2.287 0.679 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -16.603 -2.859 0.423 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -15.825 -3.068 2.010 1.00 0.00 H new ATOM 193 N ALA A 54 -16.533 -8.203 2.379 1.00 0.00 N ATOM 194 CA ALA A 54 -17.297 -9.424 2.606 1.00 0.00 C ATOM 195 C ALA A 54 -17.903 -9.440 4.006 1.00 0.00 C ATOM 196 O ALA A 54 -19.122 -9.481 4.164 1.00 0.00 O ATOM 197 CB ALA A 54 -16.415 -10.645 2.396 1.00 0.00 C ATOM 0 H ALA A 54 -15.583 -8.357 2.040 1.00 0.00 H new ATOM 0 HA ALA A 54 -18.114 -9.452 1.885 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -16.998 -11.549 2.569 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -16.035 -10.648 1.374 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -15.578 -10.614 3.094 1.00 0.00 H new ATOM 203 N ALA A 55 -17.042 -9.408 5.018 1.00 0.00 N ATOM 204 CA ALA A 55 -17.492 -9.418 6.404 1.00 0.00 C ATOM 205 C ALA A 55 -18.521 -8.321 6.655 1.00 0.00 C ATOM 206 O ALA A 55 -19.419 -8.475 7.482 1.00 0.00 O ATOM 207 CB ALA A 55 -16.308 -9.257 7.345 1.00 0.00 C ATOM 0 H ALA A 55 -16.029 -9.375 4.904 1.00 0.00 H new ATOM 0 HA ALA A 55 -17.968 -10.379 6.598 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.659 -9.266 8.377 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -15.608 -10.078 7.193 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.807 -8.311 7.141 1.00 0.00 H new ATOM 213 N GLY A 56 -18.384 -7.211 5.935 1.00 0.00 N ATOM 214 CA GLY A 56 -19.309 -6.104 6.095 1.00 0.00 C ATOM 215 C GLY A 56 -20.737 -6.489 5.763 1.00 0.00 C ATOM 216 O GLY A 56 -21.635 -6.343 6.592 1.00 0.00 O ATOM 0 H GLY A 56 -17.649 -7.059 5.244 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -19.263 -5.742 7.122 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.999 -5.280 5.452 1.00 0.00 H new ATOM 220 N VAL A 57 -20.948 -6.980 4.546 1.00 0.00 N ATOM 221 CA VAL A 57 -22.278 -7.387 4.106 1.00 0.00 C ATOM 222 C VAL A 57 -22.787 -8.572 4.918 1.00 0.00 C ATOM 223 O VAL A 57 -23.977 -8.665 5.219 1.00 0.00 O ATOM 224 CB VAL A 57 -22.284 -7.762 2.612 1.00 0.00 C ATOM 225 CG1 VAL A 57 -23.702 -8.041 2.138 1.00 0.00 C ATOM 226 CG2 VAL A 57 -21.644 -6.658 1.784 1.00 0.00 C ATOM 0 H VAL A 57 -20.216 -7.106 3.847 1.00 0.00 H new ATOM 0 HA VAL A 57 -22.938 -6.534 4.262 1.00 0.00 H new ATOM 0 HB VAL A 57 -21.697 -8.671 2.480 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -23.687 -8.304 1.080 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -24.121 -8.867 2.712 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -24.315 -7.151 2.282 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -21.656 -6.939 0.731 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -22.203 -5.732 1.919 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -20.614 -6.511 2.108 1.00 0.00 H new ATOM 236 N ILE A 58 -21.878 -9.475 5.271 1.00 0.00 N ATOM 237 CA ILE A 58 -22.235 -10.654 6.050 1.00 0.00 C ATOM 238 C ILE A 58 -22.692 -10.267 7.453 1.00 0.00 C ATOM 239 O ILE A 58 -23.736 -10.717 7.924 1.00 0.00 O ATOM 240 CB ILE A 58 -21.054 -11.636 6.159 1.00 0.00 C ATOM 241 CG1 ILE A 58 -20.679 -12.172 4.776 1.00 0.00 C ATOM 242 CG2 ILE A 58 -21.402 -12.780 7.100 1.00 0.00 C ATOM 243 CD1 ILE A 58 -19.455 -13.059 4.783 1.00 0.00 C ATOM 0 H ILE A 58 -20.889 -9.412 5.030 1.00 0.00 H new ATOM 0 HA ILE A 58 -23.055 -11.143 5.525 1.00 0.00 H new ATOM 0 HB ILE A 58 -20.194 -11.104 6.567 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -21.522 -12.733 4.372 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -20.504 -11.331 4.105 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -20.557 -13.466 7.167 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -21.625 -12.382 8.090 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -22.273 -13.313 6.718 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -19.249 -13.402 3.769 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -18.600 -12.496 5.157 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -19.633 -13.919 5.428 1.00 0.00 H new ATOM 255 N GLY A 59 -21.902 -9.428 8.117 1.00 0.00 N ATOM 256 CA GLY A 59 -22.242 -8.994 9.459 1.00 0.00 C ATOM 257 C GLY A 59 -23.612 -8.350 9.530 1.00 0.00 C ATOM 258 O GLY A 59 -24.446 -8.735 10.348 1.00 0.00 O ATOM 0 H GLY A 59 -21.033 -9.041 7.749 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -22.211 -9.850 10.133 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -21.492 -8.285 9.809 1.00 0.00 H new ATOM 262 N GLY A 60 -23.846 -7.363 8.670 1.00 0.00 N ATOM 263 CA GLY A 60 -25.125 -6.678 8.656 1.00 0.00 C ATOM 264 C GLY A 60 -26.287 -7.625 8.430 1.00 0.00 C ATOM 265 O GLY A 60 -27.321 -7.521 9.092 1.00 0.00 O ATOM 0 H GLY A 60 -23.172 -7.026 7.983 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -25.265 -6.156 9.603 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -25.120 -5.921 7.872 1.00 0.00 H new ATOM 269 N LEU A 61 -26.120 -8.549 7.491 1.00 0.00 N ATOM 270 CA LEU A 61 -27.165 -9.518 7.177 1.00 0.00 C ATOM 271 C LEU A 61 -27.384 -10.479 8.341 1.00 0.00 C ATOM 272 O LEU A 61 -28.489 -10.584 8.873 1.00 0.00 O ATOM 273 CB LEU A 61 -26.798 -10.302 5.915 1.00 0.00 C ATOM 274 CG LEU A 61 -26.953 -9.554 4.591 1.00 0.00 C ATOM 275 CD1 LEU A 61 -26.461 -10.409 3.434 1.00 0.00 C ATOM 276 CD2 LEU A 61 -28.403 -9.145 4.376 1.00 0.00 C ATOM 0 H LEU A 61 -25.272 -8.648 6.934 1.00 0.00 H new ATOM 0 HA LEU A 61 -28.092 -8.972 7.002 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -25.763 -10.631 6.004 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -27.415 -11.199 5.877 1.00 0.00 H new ATOM 0 HG LEU A 61 -26.344 -8.651 4.633 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -26.579 -9.860 2.500 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -25.409 -10.651 3.582 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -27.042 -11.330 3.389 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -28.495 -8.614 3.429 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -29.033 -10.034 4.356 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -28.722 -8.493 5.190 1.00 0.00 H new ATOM 288 N PHE A 62 -26.324 -11.177 8.733 1.00 0.00 N ATOM 289 CA PHE A 62 -26.400 -12.129 9.835 1.00 0.00 C ATOM 290 C PHE A 62 -27.021 -11.483 11.069 1.00 0.00 C ATOM 291 O PHE A 62 -28.019 -11.970 11.602 1.00 0.00 O ATOM 292 CB PHE A 62 -25.006 -12.664 10.172 1.00 0.00 C ATOM 293 CG PHE A 62 -25.028 -13.892 11.036 1.00 0.00 C ATOM 294 CD1 PHE A 62 -25.899 -14.934 10.759 1.00 0.00 C ATOM 295 CD2 PHE A 62 -24.179 -14.005 12.124 1.00 0.00 C ATOM 296 CE1 PHE A 62 -25.922 -16.066 11.552 1.00 0.00 C ATOM 297 CE2 PHE A 62 -24.197 -15.135 12.920 1.00 0.00 C ATOM 298 CZ PHE A 62 -25.070 -16.166 12.634 1.00 0.00 C ATOM 0 H PHE A 62 -25.402 -11.101 8.304 1.00 0.00 H new ATOM 0 HA PHE A 62 -27.034 -12.959 9.523 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -24.479 -12.891 9.245 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -24.439 -11.883 10.679 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -26.567 -14.861 9.914 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -23.495 -13.201 12.353 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -26.605 -16.871 11.326 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -23.529 -15.211 13.765 1.00 0.00 H new ATOM 0 HZ PHE A 62 -25.086 -17.049 13.256 1.00 0.00 H new ATOM 308 N ILE A 63 -26.425 -10.384 11.518 1.00 0.00 N ATOM 309 CA ILE A 63 -26.920 -9.670 12.689 1.00 0.00 C ATOM 310 C ILE A 63 -28.409 -9.369 12.560 1.00 0.00 C ATOM 311 O ILE A 63 -29.169 -9.517 13.518 1.00 0.00 O ATOM 312 CB ILE A 63 -26.157 -8.350 12.908 1.00 0.00 C ATOM 313 CG1 ILE A 63 -24.702 -8.633 13.286 1.00 0.00 C ATOM 314 CG2 ILE A 63 -26.837 -7.518 13.985 1.00 0.00 C ATOM 315 CD1 ILE A 63 -24.546 -9.291 14.639 1.00 0.00 C ATOM 0 H ILE A 63 -25.598 -9.968 11.089 1.00 0.00 H new ATOM 0 HA ILE A 63 -26.757 -10.321 13.548 1.00 0.00 H new ATOM 0 HB ILE A 63 -26.167 -7.783 11.977 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -24.256 -9.274 12.526 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -24.145 -7.696 13.280 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -26.286 -6.588 14.128 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -27.858 -7.291 13.679 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -26.854 -8.078 14.920 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -23.489 -9.462 14.841 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -24.962 -8.642 15.409 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -25.075 -10.244 14.643 1.00 0.00 H new ATOM 327 N LEU A 64 -28.820 -8.947 11.370 1.00 0.00 N ATOM 328 CA LEU A 64 -30.220 -8.625 11.114 1.00 0.00 C ATOM 329 C LEU A 64 -31.082 -9.883 11.148 1.00 0.00 C ATOM 330 O LEU A 64 -32.231 -9.849 11.589 1.00 0.00 O ATOM 331 CB LEU A 64 -30.365 -7.930 9.759 1.00 0.00 C ATOM 332 CG LEU A 64 -29.935 -6.464 9.707 1.00 0.00 C ATOM 333 CD1 LEU A 64 -29.801 -5.997 8.266 1.00 0.00 C ATOM 334 CD2 LEU A 64 -30.926 -5.591 10.463 1.00 0.00 C ATOM 0 H LEU A 64 -28.204 -8.820 10.567 1.00 0.00 H new ATOM 0 HA LEU A 64 -30.562 -7.951 11.899 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -29.782 -8.485 9.024 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -31.409 -7.993 9.451 1.00 0.00 H new ATOM 0 HG LEU A 64 -28.961 -6.374 10.188 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -29.494 -4.951 8.249 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -29.053 -6.603 7.755 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -30.760 -6.102 7.759 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -30.604 -4.551 10.416 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -31.913 -5.686 10.011 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -30.971 -5.910 11.504 1.00 0.00 H new ATOM 346 N VAL A 65 -30.519 -10.993 10.681 1.00 0.00 N ATOM 347 CA VAL A 65 -31.235 -12.263 10.660 1.00 0.00 C ATOM 348 C VAL A 65 -31.668 -12.673 12.064 1.00 0.00 C ATOM 349 O VAL A 65 -32.806 -13.091 12.276 1.00 0.00 O ATOM 350 CB VAL A 65 -30.371 -13.385 10.054 1.00 0.00 C ATOM 351 CG1 VAL A 65 -31.104 -14.716 10.115 1.00 0.00 C ATOM 352 CG2 VAL A 65 -29.986 -13.044 8.622 1.00 0.00 C ATOM 0 H VAL A 65 -29.569 -11.038 10.312 1.00 0.00 H new ATOM 0 HA VAL A 65 -32.118 -12.118 10.038 1.00 0.00 H new ATOM 0 HB VAL A 65 -29.457 -13.474 10.641 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -30.478 -15.496 9.682 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -31.325 -14.962 11.154 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -32.035 -14.645 9.553 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -29.376 -13.847 8.208 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -30.888 -12.927 8.021 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -29.418 -12.114 8.610 1.00 0.00 H new ATOM 362 N ILE A 66 -30.752 -12.549 13.019 1.00 0.00 N ATOM 363 CA ILE A 66 -31.040 -12.905 14.403 1.00 0.00 C ATOM 364 C ILE A 66 -32.057 -11.948 15.016 1.00 0.00 C ATOM 365 O ILE A 66 -33.115 -12.368 15.486 1.00 0.00 O ATOM 366 CB ILE A 66 -29.762 -12.898 15.263 1.00 0.00 C ATOM 367 CG1 ILE A 66 -28.683 -13.770 14.618 1.00 0.00 C ATOM 368 CG2 ILE A 66 -30.070 -13.382 16.672 1.00 0.00 C ATOM 369 CD1 ILE A 66 -27.429 -13.008 14.251 1.00 0.00 C ATOM 0 H ILE A 66 -29.805 -12.205 12.860 1.00 0.00 H new ATOM 0 HA ILE A 66 -31.455 -13.913 14.391 1.00 0.00 H new ATOM 0 HB ILE A 66 -29.388 -11.876 15.324 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -28.421 -14.576 15.304 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -29.091 -14.235 13.721 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -29.157 -13.372 17.268 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -30.809 -12.724 17.129 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -30.464 -14.397 16.630 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -26.708 -13.689 13.799 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -27.677 -12.219 13.541 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -26.996 -12.566 15.148 1.00 0.00 H new ATOM 381 N VAL A 67 -31.730 -10.660 15.007 1.00 0.00 N ATOM 382 CA VAL A 67 -32.616 -9.642 15.560 1.00 0.00 C ATOM 383 C VAL A 67 -34.007 -9.731 14.943 1.00 0.00 C ATOM 384 O VAL A 67 -35.007 -9.831 15.653 1.00 0.00 O ATOM 385 CB VAL A 67 -32.055 -8.226 15.332 1.00 0.00 C ATOM 386 CG1 VAL A 67 -32.918 -7.190 16.037 1.00 0.00 C ATOM 387 CG2 VAL A 67 -30.613 -8.142 15.808 1.00 0.00 C ATOM 0 H VAL A 67 -30.858 -10.296 14.623 1.00 0.00 H new ATOM 0 HA VAL A 67 -32.684 -9.829 16.632 1.00 0.00 H new ATOM 0 HB VAL A 67 -32.074 -8.014 14.263 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -32.506 -6.196 15.865 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -33.934 -7.235 15.645 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -32.933 -7.396 17.107 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -30.232 -7.135 15.639 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -30.567 -8.374 16.872 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -30.005 -8.857 15.254 1.00 0.00 H new ATOM 397 N GLY A 68 -34.063 -9.696 13.615 1.00 0.00 N ATOM 398 CA GLY A 68 -35.337 -9.774 12.924 1.00 0.00 C ATOM 399 C GLY A 68 -36.170 -10.957 13.376 1.00 0.00 C ATOM 400 O GLY A 68 -37.307 -10.791 13.822 1.00 0.00 O ATOM 0 H GLY A 68 -33.249 -9.615 13.006 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -35.896 -8.854 13.094 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -35.161 -9.846 11.851 1.00 0.00 H new ATOM 404 N LEU A 69 -35.607 -12.154 13.259 1.00 0.00 N ATOM 405 CA LEU A 69 -36.306 -13.371 13.658 1.00 0.00 C ATOM 406 C LEU A 69 -36.716 -13.307 15.125 1.00 0.00 C ATOM 407 O LEU A 69 -37.832 -13.681 15.487 1.00 0.00 O ATOM 408 CB LEU A 69 -35.420 -14.594 13.416 1.00 0.00 C ATOM 409 CG LEU A 69 -35.269 -15.037 11.960 1.00 0.00 C ATOM 410 CD1 LEU A 69 -34.364 -16.255 11.863 1.00 0.00 C ATOM 411 CD2 LEU A 69 -36.631 -15.332 11.349 1.00 0.00 C ATOM 0 H LEU A 69 -34.668 -12.308 12.891 1.00 0.00 H new ATOM 0 HA LEU A 69 -37.208 -13.458 13.052 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -34.428 -14.384 13.815 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -35.824 -15.429 13.989 1.00 0.00 H new ATOM 0 HG LEU A 69 -34.809 -14.224 11.399 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -34.269 -16.555 10.820 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -33.380 -16.009 12.261 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -34.794 -17.075 12.439 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -36.505 -15.646 10.313 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -37.118 -16.128 11.912 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -37.248 -14.434 11.383 1.00 0.00 H new ATOM 423 N THR A 70 -35.806 -12.830 15.969 1.00 0.00 N ATOM 424 CA THR A 70 -36.072 -12.716 17.397 1.00 0.00 C ATOM 425 C THR A 70 -37.377 -11.971 17.655 1.00 0.00 C ATOM 426 O THR A 70 -38.145 -12.334 18.546 1.00 0.00 O ATOM 427 CB THR A 70 -34.926 -11.989 18.126 1.00 0.00 C ATOM 428 OG1 THR A 70 -33.731 -12.776 18.066 1.00 0.00 O ATOM 429 CG2 THR A 70 -35.292 -11.723 19.579 1.00 0.00 C ATOM 0 H THR A 70 -34.877 -12.516 15.687 1.00 0.00 H new ATOM 0 HA THR A 70 -36.153 -13.731 17.786 1.00 0.00 H new ATOM 0 HB THR A 70 -34.757 -11.033 17.630 1.00 0.00 H new ATOM 0 HG1 THR A 70 -33.242 -12.566 17.243 1.00 0.00 H new ATOM 0 HG21 THR A 70 -34.468 -11.209 20.074 1.00 0.00 H new ATOM 0 HG22 THR A 70 -36.186 -11.100 19.621 1.00 0.00 H new ATOM 0 HG23 THR A 70 -35.485 -12.669 20.085 1.00 0.00 H new ATOM 437 N PHE A 71 -37.622 -10.927 16.870 1.00 0.00 N ATOM 438 CA PHE A 71 -38.835 -10.131 17.014 1.00 0.00 C ATOM 439 C PHE A 71 -40.062 -10.923 16.572 1.00 0.00 C ATOM 440 O PHE A 71 -41.044 -11.027 17.307 1.00 0.00 O ATOM 441 CB PHE A 71 -38.724 -8.842 16.197 1.00 0.00 C ATOM 442 CG PHE A 71 -39.796 -7.838 16.512 1.00 0.00 C ATOM 443 CD1 PHE A 71 -41.023 -7.890 15.870 1.00 0.00 C ATOM 444 CD2 PHE A 71 -39.577 -6.842 17.450 1.00 0.00 C ATOM 445 CE1 PHE A 71 -42.012 -6.968 16.158 1.00 0.00 C ATOM 446 CE2 PHE A 71 -40.562 -5.918 17.742 1.00 0.00 C ATOM 447 CZ PHE A 71 -41.780 -5.980 17.095 1.00 0.00 C ATOM 0 H PHE A 71 -36.997 -10.613 16.128 1.00 0.00 H new ATOM 0 HA PHE A 71 -38.950 -9.877 18.068 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -37.749 -8.389 16.378 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -38.769 -9.089 15.136 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -41.209 -8.660 15.136 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -38.626 -6.787 17.959 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -42.964 -7.020 15.651 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -40.379 -5.147 18.476 1.00 0.00 H new ATOM 0 HZ PHE A 71 -42.550 -5.257 17.321 1.00 0.00 H new ATOM 457 N ALA A 72 -39.998 -11.478 15.367 1.00 0.00 N ATOM 458 CA ALA A 72 -41.102 -12.262 14.827 1.00 0.00 C ATOM 459 C ALA A 72 -41.401 -13.469 15.709 1.00 0.00 C ATOM 460 O ALA A 72 -42.537 -13.940 15.769 1.00 0.00 O ATOM 461 CB ALA A 72 -40.786 -12.709 13.407 1.00 0.00 C ATOM 0 H ALA A 72 -39.193 -11.399 14.746 1.00 0.00 H new ATOM 0 HA ALA A 72 -41.990 -11.630 14.809 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -41.619 -13.294 13.016 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -40.629 -11.834 12.776 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -39.884 -13.320 13.410 1.00 0.00 H new ATOM 467 N VAL A 73 -40.375 -13.966 16.393 1.00 0.00 N ATOM 468 CA VAL A 73 -40.529 -15.118 17.273 1.00 0.00 C ATOM 469 C VAL A 73 -41.061 -14.699 18.639 1.00 0.00 C ATOM 470 O VAL A 73 -41.909 -15.376 19.221 1.00 0.00 O ATOM 471 CB VAL A 73 -39.195 -15.863 17.461 1.00 0.00 C ATOM 472 CG1 VAL A 73 -39.356 -17.008 18.449 1.00 0.00 C ATOM 473 CG2 VAL A 73 -38.677 -16.372 16.124 1.00 0.00 C ATOM 0 H VAL A 73 -39.428 -13.589 16.354 1.00 0.00 H new ATOM 0 HA VAL A 73 -41.246 -15.786 16.796 1.00 0.00 H new ATOM 0 HB VAL A 73 -38.464 -15.165 17.868 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -38.402 -17.522 18.568 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -39.679 -16.614 19.413 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -40.102 -17.709 18.075 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -37.733 -16.896 16.275 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -39.406 -17.055 15.688 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -38.520 -15.530 15.450 1.00 0.00 H new ATOM 483 N TYR A 74 -40.558 -13.578 19.145 1.00 0.00 N ATOM 484 CA TYR A 74 -40.981 -13.069 20.444 1.00 0.00 C ATOM 485 C TYR A 74 -42.483 -12.801 20.462 1.00 0.00 C ATOM 486 O TYR A 74 -43.171 -13.121 21.431 1.00 0.00 O ATOM 487 CB TYR A 74 -40.219 -11.788 20.786 1.00 0.00 C ATOM 488 CG TYR A 74 -40.331 -11.386 22.239 1.00 0.00 C ATOM 489 CD1 TYR A 74 -40.053 -12.292 23.255 1.00 0.00 C ATOM 490 CD2 TYR A 74 -40.713 -10.098 22.597 1.00 0.00 C ATOM 491 CE1 TYR A 74 -40.155 -11.929 24.584 1.00 0.00 C ATOM 492 CE2 TYR A 74 -40.816 -9.726 23.923 1.00 0.00 C ATOM 493 CZ TYR A 74 -40.537 -10.645 24.913 1.00 0.00 C ATOM 494 OH TYR A 74 -40.638 -10.279 26.236 1.00 0.00 O ATOM 0 H TYR A 74 -39.857 -13.005 18.675 1.00 0.00 H new ATOM 0 HA TYR A 74 -40.757 -13.828 21.193 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -39.167 -11.923 20.535 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -40.593 -10.975 20.163 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -39.752 -13.298 23.001 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -40.933 -9.376 21.825 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -39.937 -12.647 25.361 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -41.113 -8.721 24.183 1.00 0.00 H new ATOM 0 HH TYR A 74 -40.917 -9.341 26.296 1.00 0.00 H new ATOM 504 N VAL A 75 -42.985 -12.212 19.382 1.00 0.00 N ATOM 505 CA VAL A 75 -44.405 -11.901 19.270 1.00 0.00 C ATOM 506 C VAL A 75 -45.241 -13.174 19.188 1.00 0.00 C ATOM 507 O VAL A 75 -46.238 -13.320 19.895 1.00 0.00 O ATOM 508 CB VAL A 75 -44.694 -11.030 18.034 1.00 0.00 C ATOM 509 CG1 VAL A 75 -46.188 -10.784 17.890 1.00 0.00 C ATOM 510 CG2 VAL A 75 -43.935 -9.714 18.121 1.00 0.00 C ATOM 0 H VAL A 75 -42.429 -11.940 18.571 1.00 0.00 H new ATOM 0 HA VAL A 75 -44.679 -11.346 20.167 1.00 0.00 H new ATOM 0 HB VAL A 75 -44.351 -11.564 17.147 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -46.372 -10.167 17.011 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -46.705 -11.737 17.779 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -46.560 -10.272 18.777 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -44.151 -9.111 17.239 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -44.245 -9.174 19.015 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -42.865 -9.914 18.171 1.00 0.00 H new ATOM 520 N ARG A 76 -44.827 -14.092 18.320 1.00 0.00 N ATOM 521 CA ARG A 76 -45.538 -15.352 18.145 1.00 0.00 C ATOM 522 C ARG A 76 -45.758 -16.044 19.487 1.00 0.00 C ATOM 523 O ARG A 76 -46.815 -16.626 19.730 1.00 0.00 O ATOM 524 CB ARG A 76 -44.759 -16.275 17.205 1.00 0.00 C ATOM 525 CG ARG A 76 -44.754 -15.808 15.759 1.00 0.00 C ATOM 526 CD ARG A 76 -45.650 -16.677 14.890 1.00 0.00 C ATOM 527 NE ARG A 76 -45.118 -18.029 14.737 1.00 0.00 N ATOM 528 CZ ARG A 76 -44.064 -18.323 13.984 1.00 0.00 C ATOM 529 NH1 ARG A 76 -43.431 -17.365 13.320 1.00 0.00 N ATOM 530 NH2 ARG A 76 -43.640 -19.577 13.895 1.00 0.00 N ATOM 0 H ARG A 76 -44.003 -13.986 17.728 1.00 0.00 H new ATOM 0 HA ARG A 76 -46.511 -15.133 17.705 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -43.730 -16.353 17.556 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -45.189 -17.275 17.253 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -45.090 -14.772 15.709 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -43.736 -15.832 15.371 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -46.645 -16.727 15.331 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -45.759 -16.217 13.908 1.00 0.00 H new ATOM 0 HE ARG A 76 -45.581 -18.789 15.236 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -43.753 -16.400 13.387 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -42.622 -17.594 12.743 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -44.124 -20.316 14.405 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -42.831 -19.802 13.317 1.00 0.00 H new ATOM 544 N ARG A 77 -44.754 -15.975 20.354 1.00 0.00 N ATOM 545 CA ARG A 77 -44.837 -16.596 21.671 1.00 0.00 C ATOM 546 C ARG A 77 -46.103 -16.155 22.400 1.00 0.00 C ATOM 547 O ARG A 77 -46.599 -16.855 23.284 1.00 0.00 O ATOM 548 CB ARG A 77 -43.605 -16.240 22.505 1.00 0.00 C ATOM 549 CG ARG A 77 -42.344 -16.968 22.069 1.00 0.00 C ATOM 550 CD ARG A 77 -42.453 -18.465 22.310 1.00 0.00 C ATOM 551 NE ARG A 77 -42.715 -18.776 23.713 1.00 0.00 N ATOM 552 CZ ARG A 77 -43.146 -19.959 24.135 1.00 0.00 C ATOM 553 NH1 ARG A 77 -43.363 -20.938 23.268 1.00 0.00 N ATOM 554 NH2 ARG A 77 -43.361 -20.165 25.428 1.00 0.00 N ATOM 0 H ARG A 77 -43.873 -15.495 20.169 1.00 0.00 H new ATOM 0 HA ARG A 77 -44.874 -17.677 21.534 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -43.434 -15.165 22.444 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -43.805 -16.472 23.551 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -42.162 -16.781 21.011 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -41.487 -16.572 22.614 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -43.253 -18.874 21.693 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -41.529 -18.951 21.998 1.00 0.00 H new ATOM 0 HE ARG A 77 -42.558 -18.045 24.406 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -43.199 -20.784 22.273 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -43.694 -21.845 23.596 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -43.195 -19.414 26.098 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -43.692 -21.074 25.751 1.00 0.00 H new ATOM 568 N LYS A 78 -46.620 -14.990 22.025 1.00 0.00 N ATOM 569 CA LYS A 78 -47.828 -14.455 22.642 1.00 0.00 C ATOM 570 C LYS A 78 -49.077 -15.049 21.998 1.00 0.00 C ATOM 571 O LYS A 78 -49.943 -15.592 22.685 1.00 0.00 O ATOM 572 CB LYS A 78 -47.855 -12.930 22.521 1.00 0.00 C ATOM 573 CG LYS A 78 -47.812 -12.212 23.858 1.00 0.00 C ATOM 574 CD LYS A 78 -47.352 -10.772 23.704 1.00 0.00 C ATOM 575 CE LYS A 78 -46.156 -10.471 24.594 1.00 0.00 C ATOM 576 NZ LYS A 78 -46.573 -10.023 25.951 1.00 0.00 N ATOM 0 H LYS A 78 -46.221 -14.398 21.296 1.00 0.00 H new ATOM 0 HA LYS A 78 -47.819 -14.729 23.697 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -47.007 -12.607 21.917 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -48.758 -12.632 21.987 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -48.802 -12.232 24.314 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -47.139 -12.740 24.534 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -47.089 -10.582 22.663 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -48.172 -10.098 23.954 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -45.535 -11.362 24.681 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -45.543 -9.699 24.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -45.729 -9.828 26.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -47.145 -9.158 25.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -47.137 -10.770 26.405 1.00 0.00 H new ATOM 875 N LEU B 52 -11.015 -6.889 8.666 1.00 0.00 N ATOM 876 CA LEU B 52 -12.028 -7.938 8.632 1.00 0.00 C ATOM 877 C LEU B 52 -12.914 -7.881 9.872 1.00 0.00 C ATOM 878 O LEU B 52 -14.094 -7.539 9.789 1.00 0.00 O ATOM 879 CB LEU B 52 -11.365 -9.312 8.529 1.00 0.00 C ATOM 880 CG LEU B 52 -12.309 -10.515 8.515 1.00 0.00 C ATOM 881 CD1 LEU B 52 -13.192 -10.486 7.277 1.00 0.00 C ATOM 882 CD2 LEU B 52 -11.520 -11.814 8.579 1.00 0.00 C ATOM 0 HA LEU B 52 -12.653 -7.776 7.754 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -10.765 -9.336 7.619 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -10.678 -9.425 9.367 1.00 0.00 H new ATOM 0 HG LEU B 52 -12.950 -10.459 9.395 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -13.857 -11.350 7.284 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -13.785 -9.571 7.274 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -12.568 -10.516 6.384 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -12.209 -12.659 8.568 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -10.854 -11.878 7.719 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -10.932 -11.837 9.496 1.00 0.00 H new ATOM 894 N ILE B 53 -12.337 -8.215 11.021 1.00 0.00 N ATOM 895 CA ILE B 53 -13.073 -8.197 12.279 1.00 0.00 C ATOM 896 C ILE B 53 -13.717 -6.836 12.521 1.00 0.00 C ATOM 897 O ILE B 53 -14.885 -6.748 12.896 1.00 0.00 O ATOM 898 CB ILE B 53 -12.160 -8.540 13.471 1.00 0.00 C ATOM 899 CG1 ILE B 53 -11.461 -9.880 13.237 1.00 0.00 C ATOM 900 CG2 ILE B 53 -12.964 -8.573 14.762 1.00 0.00 C ATOM 901 CD1 ILE B 53 -12.396 -11.068 13.298 1.00 0.00 C ATOM 0 H ILE B 53 -11.362 -8.501 11.107 1.00 0.00 H new ATOM 0 HA ILE B 53 -13.852 -8.955 12.199 1.00 0.00 H new ATOM 0 HB ILE B 53 -11.398 -7.766 13.561 1.00 0.00 H new ATOM 0 HG12 ILE B 53 -10.974 -9.861 12.262 1.00 0.00 H new ATOM 0 HG13 ILE B 53 -10.677 -10.007 13.983 1.00 0.00 H new ATOM 0 HG21 ILE B 53 -12.305 -8.817 15.595 1.00 0.00 H new ATOM 0 HG22 ILE B 53 -13.419 -7.597 14.933 1.00 0.00 H new ATOM 0 HG23 ILE B 53 -13.746 -9.329 14.685 1.00 0.00 H new ATOM 0 HD11 ILE B 53 -11.832 -11.984 13.123 1.00 0.00 H new ATOM 0 HD12 ILE B 53 -12.864 -11.112 14.281 1.00 0.00 H new ATOM 0 HD13 ILE B 53 -13.166 -10.965 12.534 1.00 0.00 H new ATOM 913 N ALA B 54 -12.946 -5.776 12.302 1.00 0.00 N ATOM 914 CA ALA B 54 -13.441 -4.418 12.492 1.00 0.00 C ATOM 915 C ALA B 54 -14.748 -4.200 11.735 1.00 0.00 C ATOM 916 O ALA B 54 -15.780 -3.903 12.335 1.00 0.00 O ATOM 917 CB ALA B 54 -12.396 -3.407 12.045 1.00 0.00 C ATOM 0 H ALA B 54 -11.976 -5.832 11.993 1.00 0.00 H new ATOM 0 HA ALA B 54 -13.637 -4.275 13.555 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -12.780 -2.398 12.193 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -11.487 -3.539 12.632 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -12.171 -3.559 10.989 1.00 0.00 H new ATOM 923 N ALA B 55 -14.694 -4.349 10.416 1.00 0.00 N ATOM 924 CA ALA B 55 -15.873 -4.169 9.578 1.00 0.00 C ATOM 925 C ALA B 55 -17.042 -5.005 10.089 1.00 0.00 C ATOM 926 O ALA B 55 -18.199 -4.603 9.982 1.00 0.00 O ATOM 927 CB ALA B 55 -15.555 -4.529 8.135 1.00 0.00 C ATOM 0 H ALA B 55 -13.846 -4.594 9.904 1.00 0.00 H new ATOM 0 HA ALA B 55 -16.164 -3.119 9.623 1.00 0.00 H new ATOM 0 HB1 ALA B 55 -16.445 -4.390 7.521 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -14.756 -3.886 7.767 1.00 0.00 H new ATOM 0 HB3 ALA B 55 -15.236 -5.570 8.081 1.00 0.00 H new ATOM 933 N GLY B 56 -16.730 -6.173 10.643 1.00 0.00 N ATOM 934 CA GLY B 56 -17.766 -7.048 11.161 1.00 0.00 C ATOM 935 C GLY B 56 -18.582 -6.395 12.258 1.00 0.00 C ATOM 936 O GLY B 56 -19.804 -6.291 12.155 1.00 0.00 O ATOM 0 H GLY B 56 -15.779 -6.529 10.742 1.00 0.00 H new ATOM 0 HA2 GLY B 56 -18.428 -7.343 10.347 1.00 0.00 H new ATOM 0 HA3 GLY B 56 -17.308 -7.959 11.546 1.00 0.00 H new ATOM 940 N VAL B 57 -17.905 -5.953 13.314 1.00 0.00 N ATOM 941 CA VAL B 57 -18.576 -5.307 14.436 1.00 0.00 C ATOM 942 C VAL B 57 -19.224 -3.995 14.007 1.00 0.00 C ATOM 943 O VAL B 57 -20.303 -3.640 14.483 1.00 0.00 O ATOM 944 CB VAL B 57 -17.595 -5.028 15.591 1.00 0.00 C ATOM 945 CG1 VAL B 57 -18.338 -4.488 16.803 1.00 0.00 C ATOM 946 CG2 VAL B 57 -16.821 -6.288 15.947 1.00 0.00 C ATOM 0 H VAL B 57 -16.893 -6.031 13.416 1.00 0.00 H new ATOM 0 HA VAL B 57 -19.348 -5.995 14.782 1.00 0.00 H new ATOM 0 HB VAL B 57 -16.882 -4.271 15.265 1.00 0.00 H new ATOM 0 HG11 VAL B 57 -17.629 -4.297 17.609 1.00 0.00 H new ATOM 0 HG12 VAL B 57 -18.843 -3.560 16.536 1.00 0.00 H new ATOM 0 HG13 VAL B 57 -19.075 -5.220 17.134 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -16.133 -6.073 16.764 1.00 0.00 H new ATOM 0 HG22 VAL B 57 -17.517 -7.068 16.254 1.00 0.00 H new ATOM 0 HG23 VAL B 57 -16.257 -6.627 15.078 1.00 0.00 H new ATOM 956 N ILE B 58 -18.560 -3.280 13.105 1.00 0.00 N ATOM 957 CA ILE B 58 -19.073 -2.008 12.611 1.00 0.00 C ATOM 958 C ILE B 58 -20.360 -2.206 11.818 1.00 0.00 C ATOM 959 O ILE B 58 -21.345 -1.499 12.026 1.00 0.00 O ATOM 960 CB ILE B 58 -18.040 -1.292 11.722 1.00 0.00 C ATOM 961 CG1 ILE B 58 -16.801 -0.920 12.540 1.00 0.00 C ATOM 962 CG2 ILE B 58 -18.654 -0.053 11.088 1.00 0.00 C ATOM 963 CD1 ILE B 58 -15.686 -0.324 11.710 1.00 0.00 C ATOM 0 H ILE B 58 -17.666 -3.560 12.702 1.00 0.00 H new ATOM 0 HA ILE B 58 -19.279 -1.389 13.485 1.00 0.00 H new ATOM 0 HB ILE B 58 -17.736 -1.971 10.925 1.00 0.00 H new ATOM 0 HG12 ILE B 58 -17.087 -0.208 13.314 1.00 0.00 H new ATOM 0 HG13 ILE B 58 -16.430 -1.810 13.047 1.00 0.00 H new ATOM 0 HG21 ILE B 58 -17.911 0.442 10.463 1.00 0.00 H new ATOM 0 HG22 ILE B 58 -19.508 -0.343 10.476 1.00 0.00 H new ATOM 0 HG23 ILE B 58 -18.983 0.631 11.870 1.00 0.00 H new ATOM 0 HD11 ILE B 58 -14.840 -0.085 12.355 1.00 0.00 H new ATOM 0 HD12 ILE B 58 -15.373 -1.042 10.952 1.00 0.00 H new ATOM 0 HD13 ILE B 58 -16.040 0.585 11.224 1.00 0.00 H new ATOM 975 N GLY B 59 -20.345 -3.175 10.907 1.00 0.00 N ATOM 976 CA GLY B 59 -21.517 -3.449 10.096 1.00 0.00 C ATOM 977 C GLY B 59 -22.737 -3.778 10.934 1.00 0.00 C ATOM 978 O GLY B 59 -23.801 -3.188 10.753 1.00 0.00 O ATOM 0 H GLY B 59 -19.542 -3.775 10.716 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -21.733 -2.583 9.470 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -21.305 -4.282 9.426 1.00 0.00 H new ATOM 982 N GLY B 60 -22.583 -4.726 11.854 1.00 0.00 N ATOM 983 CA GLY B 60 -23.689 -5.118 12.708 1.00 0.00 C ATOM 984 C GLY B 60 -24.244 -3.956 13.507 1.00 0.00 C ATOM 985 O GLY B 60 -25.460 -3.810 13.644 1.00 0.00 O ATOM 0 H GLY B 60 -21.712 -5.229 12.023 1.00 0.00 H new ATOM 0 HA2 GLY B 60 -24.483 -5.546 12.096 1.00 0.00 H new ATOM 0 HA3 GLY B 60 -23.357 -5.899 13.392 1.00 0.00 H new ATOM 989 N LEU B 61 -23.353 -3.126 14.039 1.00 0.00 N ATOM 990 CA LEU B 61 -23.761 -1.971 14.831 1.00 0.00 C ATOM 991 C LEU B 61 -24.449 -0.927 13.957 1.00 0.00 C ATOM 992 O LEU B 61 -25.610 -0.583 14.181 1.00 0.00 O ATOM 993 CB LEU B 61 -22.547 -1.351 15.526 1.00 0.00 C ATOM 994 CG LEU B 61 -22.021 -2.098 16.751 1.00 0.00 C ATOM 995 CD1 LEU B 61 -20.753 -1.442 17.274 1.00 0.00 C ATOM 996 CD2 LEU B 61 -23.083 -2.152 17.840 1.00 0.00 C ATOM 0 H LEU B 61 -22.344 -3.231 13.936 1.00 0.00 H new ATOM 0 HA LEU B 61 -24.470 -2.311 15.586 1.00 0.00 H new ATOM 0 HB2 LEU B 61 -21.739 -1.272 14.799 1.00 0.00 H new ATOM 0 HB3 LEU B 61 -22.805 -0.336 15.828 1.00 0.00 H new ATOM 0 HG LEU B 61 -21.781 -3.119 16.454 1.00 0.00 H new ATOM 0 HD11 LEU B 61 -20.394 -1.988 18.146 1.00 0.00 H new ATOM 0 HD12 LEU B 61 -19.989 -1.456 16.497 1.00 0.00 H new ATOM 0 HD13 LEU B 61 -20.966 -0.410 17.554 1.00 0.00 H new ATOM 0 HD21 LEU B 61 -22.691 -2.688 18.705 1.00 0.00 H new ATOM 0 HD22 LEU B 61 -23.355 -1.138 18.134 1.00 0.00 H new ATOM 0 HD23 LEU B 61 -23.965 -2.669 17.463 1.00 0.00 H new ATOM 1008 N PHE B 62 -23.727 -0.428 12.960 1.00 0.00 N ATOM 1009 CA PHE B 62 -24.268 0.576 12.051 1.00 0.00 C ATOM 1010 C PHE B 62 -25.611 0.127 11.483 1.00 0.00 C ATOM 1011 O PHE B 62 -26.621 0.814 11.632 1.00 0.00 O ATOM 1012 CB PHE B 62 -23.284 0.847 10.912 1.00 0.00 C ATOM 1013 CG PHE B 62 -23.590 2.098 10.140 1.00 0.00 C ATOM 1014 CD1 PHE B 62 -23.904 3.276 10.800 1.00 0.00 C ATOM 1015 CD2 PHE B 62 -23.564 2.098 8.754 1.00 0.00 C ATOM 1016 CE1 PHE B 62 -24.186 4.429 10.092 1.00 0.00 C ATOM 1017 CE2 PHE B 62 -23.845 3.248 8.042 1.00 0.00 C ATOM 1018 CZ PHE B 62 -24.158 4.415 8.712 1.00 0.00 C ATOM 0 H PHE B 62 -22.765 -0.702 12.761 1.00 0.00 H new ATOM 0 HA PHE B 62 -24.421 1.496 12.615 1.00 0.00 H new ATOM 0 HB2 PHE B 62 -22.277 0.920 11.322 1.00 0.00 H new ATOM 0 HB3 PHE B 62 -23.289 -0.002 10.229 1.00 0.00 H new ATOM 0 HD1 PHE B 62 -23.929 3.293 11.880 1.00 0.00 H new ATOM 0 HD2 PHE B 62 -23.321 1.188 8.225 1.00 0.00 H new ATOM 0 HE1 PHE B 62 -24.428 5.341 10.618 1.00 0.00 H new ATOM 0 HE2 PHE B 62 -23.820 3.235 6.962 1.00 0.00 H new ATOM 0 HZ PHE B 62 -24.380 5.315 8.157 1.00 0.00 H new ATOM 1028 N ILE B 63 -25.613 -1.030 10.829 1.00 0.00 N ATOM 1029 CA ILE B 63 -26.830 -1.571 10.238 1.00 0.00 C ATOM 1030 C ILE B 63 -27.960 -1.628 11.261 1.00 0.00 C ATOM 1031 O ILE B 63 -29.111 -1.321 10.949 1.00 0.00 O ATOM 1032 CB ILE B 63 -26.600 -2.983 9.667 1.00 0.00 C ATOM 1033 CG1 ILE B 63 -25.618 -2.928 8.494 1.00 0.00 C ATOM 1034 CG2 ILE B 63 -27.920 -3.600 9.230 1.00 0.00 C ATOM 1035 CD1 ILE B 63 -26.158 -2.193 7.288 1.00 0.00 C ATOM 0 H ILE B 63 -24.785 -1.610 10.695 1.00 0.00 H new ATOM 0 HA ILE B 63 -27.111 -0.900 9.426 1.00 0.00 H new ATOM 0 HB ILE B 63 -26.170 -3.609 10.449 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -24.699 -2.444 8.823 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -25.356 -3.945 8.202 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -27.740 -4.597 8.829 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -28.591 -3.669 10.086 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -28.376 -2.977 8.461 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -25.409 -2.194 6.496 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -27.061 -2.690 6.934 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -26.394 -1.165 7.564 1.00 0.00 H new ATOM 1047 N LEU B 64 -27.623 -2.021 12.485 1.00 0.00 N ATOM 1048 CA LEU B 64 -28.609 -2.116 13.556 1.00 0.00 C ATOM 1049 C LEU B 64 -29.112 -0.733 13.958 1.00 0.00 C ATOM 1050 O LEU B 64 -30.286 -0.558 14.282 1.00 0.00 O ATOM 1051 CB LEU B 64 -28.005 -2.824 14.770 1.00 0.00 C ATOM 1052 CG LEU B 64 -28.076 -4.351 14.761 1.00 0.00 C ATOM 1053 CD1 LEU B 64 -27.209 -4.933 15.867 1.00 0.00 C ATOM 1054 CD2 LEU B 64 -29.517 -4.818 14.909 1.00 0.00 C ATOM 0 H LEU B 64 -26.675 -2.279 12.760 1.00 0.00 H new ATOM 0 HA LEU B 64 -29.455 -2.697 13.187 1.00 0.00 H new ATOM 0 HB2 LEU B 64 -26.959 -2.530 14.854 1.00 0.00 H new ATOM 0 HB3 LEU B 64 -28.511 -2.462 15.665 1.00 0.00 H new ATOM 0 HG LEU B 64 -27.695 -4.708 13.804 1.00 0.00 H new ATOM 0 HD11 LEU B 64 -27.272 -6.021 15.845 1.00 0.00 H new ATOM 0 HD12 LEU B 64 -26.174 -4.627 15.717 1.00 0.00 H new ATOM 0 HD13 LEU B 64 -27.559 -4.569 16.833 1.00 0.00 H new ATOM 0 HD21 LEU B 64 -29.549 -5.907 14.901 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -29.924 -4.450 15.851 1.00 0.00 H new ATOM 0 HD23 LEU B 64 -30.112 -4.431 14.081 1.00 0.00 H new ATOM 1066 N VAL B 65 -28.215 0.248 13.931 1.00 0.00 N ATOM 1067 CA VAL B 65 -28.569 1.616 14.289 1.00 0.00 C ATOM 1068 C VAL B 65 -29.678 2.151 13.390 1.00 0.00 C ATOM 1069 O VAL B 65 -30.653 2.731 13.868 1.00 0.00 O ATOM 1070 CB VAL B 65 -27.350 2.554 14.195 1.00 0.00 C ATOM 1071 CG1 VAL B 65 -27.752 3.986 14.514 1.00 0.00 C ATOM 1072 CG2 VAL B 65 -26.243 2.082 15.126 1.00 0.00 C ATOM 0 H VAL B 65 -27.239 0.121 13.665 1.00 0.00 H new ATOM 0 HA VAL B 65 -28.922 1.592 15.320 1.00 0.00 H new ATOM 0 HB VAL B 65 -26.971 2.528 13.173 1.00 0.00 H new ATOM 0 HG11 VAL B 65 -26.878 4.634 14.443 1.00 0.00 H new ATOM 0 HG12 VAL B 65 -28.509 4.318 13.804 1.00 0.00 H new ATOM 0 HG13 VAL B 65 -28.157 4.034 15.525 1.00 0.00 H new ATOM 0 HG21 VAL B 65 -25.390 2.755 15.047 1.00 0.00 H new ATOM 0 HG22 VAL B 65 -26.608 2.078 16.153 1.00 0.00 H new ATOM 0 HG23 VAL B 65 -25.937 1.074 14.846 1.00 0.00 H new ATOM 1082 N ILE B 66 -29.522 1.950 12.086 1.00 0.00 N ATOM 1083 CA ILE B 66 -30.512 2.411 11.119 1.00 0.00 C ATOM 1084 C ILE B 66 -31.839 1.683 11.303 1.00 0.00 C ATOM 1085 O ILE B 66 -32.881 2.310 11.499 1.00 0.00 O ATOM 1086 CB ILE B 66 -30.023 2.208 9.673 1.00 0.00 C ATOM 1087 CG1 ILE B 66 -28.660 2.874 9.473 1.00 0.00 C ATOM 1088 CG2 ILE B 66 -31.040 2.763 8.687 1.00 0.00 C ATOM 1089 CD1 ILE B 66 -27.566 1.907 9.081 1.00 0.00 C ATOM 0 H ILE B 66 -28.721 1.472 11.674 1.00 0.00 H new ATOM 0 HA ILE B 66 -30.657 3.476 11.298 1.00 0.00 H new ATOM 0 HB ILE B 66 -29.914 1.139 9.489 1.00 0.00 H new ATOM 0 HG12 ILE B 66 -28.749 3.641 8.703 1.00 0.00 H new ATOM 0 HG13 ILE B 66 -28.373 3.380 10.395 1.00 0.00 H new ATOM 0 HG21 ILE B 66 -30.680 2.612 7.669 1.00 0.00 H new ATOM 0 HG22 ILE B 66 -31.991 2.246 8.816 1.00 0.00 H new ATOM 0 HG23 ILE B 66 -31.179 3.829 8.868 1.00 0.00 H new ATOM 0 HD11 ILE B 66 -26.629 2.449 8.956 1.00 0.00 H new ATOM 0 HD12 ILE B 66 -27.449 1.154 9.861 1.00 0.00 H new ATOM 0 HD13 ILE B 66 -27.830 1.419 8.143 1.00 0.00 H new ATOM 1101 N VAL B 67 -31.794 0.356 11.239 1.00 0.00 N ATOM 1102 CA VAL B 67 -32.993 -0.458 11.401 1.00 0.00 C ATOM 1103 C VAL B 67 -33.705 -0.134 12.709 1.00 0.00 C ATOM 1104 O VAL B 67 -34.897 0.172 12.720 1.00 0.00 O ATOM 1105 CB VAL B 67 -32.659 -1.961 11.369 1.00 0.00 C ATOM 1106 CG1 VAL B 67 -33.932 -2.792 11.418 1.00 0.00 C ATOM 1107 CG2 VAL B 67 -31.839 -2.298 10.133 1.00 0.00 C ATOM 0 H VAL B 67 -30.940 -0.178 11.076 1.00 0.00 H new ATOM 0 HA VAL B 67 -33.651 -0.222 10.565 1.00 0.00 H new ATOM 0 HB VAL B 67 -32.063 -2.202 12.249 1.00 0.00 H new ATOM 0 HG11 VAL B 67 -33.676 -3.851 11.394 1.00 0.00 H new ATOM 0 HG12 VAL B 67 -34.476 -2.570 12.336 1.00 0.00 H new ATOM 0 HG13 VAL B 67 -34.557 -2.551 10.558 1.00 0.00 H new ATOM 0 HG21 VAL B 67 -31.612 -3.364 10.127 1.00 0.00 H new ATOM 0 HG22 VAL B 67 -32.407 -2.043 9.239 1.00 0.00 H new ATOM 0 HG23 VAL B 67 -30.909 -1.729 10.147 1.00 0.00 H new