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 80:sc= 1.2 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 -11.975 -10.040 2.204 1.00 0.00 N ATOM 142 CA PRO A 51 -12.524 -10.369 3.523 1.00 0.00 C ATOM 143 C PRO A 51 -13.177 -9.166 4.195 1.00 0.00 C ATOM 144 O PRO A 51 -14.237 -9.286 4.811 1.00 0.00 O ATOM 145 CB PRO A 51 -11.296 -10.824 4.315 1.00 0.00 C ATOM 146 CG PRO A 51 -10.146 -10.147 3.653 1.00 0.00 C ATOM 147 CD PRO A 51 -10.502 -10.056 2.195 1.00 0.00 C ATOM 0 HA PRO A 51 -13.310 -11.121 3.462 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.373 -10.538 5.364 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.186 -11.908 4.287 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -9.980 -9.157 4.077 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.225 -10.713 3.795 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.093 -9.155 1.737 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.113 -10.905 1.633 1.00 0.00 H new ATOM 155 N LEU A 52 -12.539 -8.008 4.074 1.00 0.00 N ATOM 156 CA LEU A 52 -13.058 -6.782 4.670 1.00 0.00 C ATOM 157 C LEU A 52 -14.493 -6.524 4.222 1.00 0.00 C ATOM 158 O LEU A 52 -15.428 -6.612 5.019 1.00 0.00 O ATOM 159 CB LEU A 52 -12.173 -5.593 4.292 1.00 0.00 C ATOM 160 CG LEU A 52 -12.612 -4.231 4.832 1.00 0.00 C ATOM 161 CD1 LEU A 52 -12.565 -4.219 6.352 1.00 0.00 C ATOM 162 CD2 LEU A 52 -11.738 -3.124 4.260 1.00 0.00 C ATOM 0 H LEU A 52 -11.661 -7.892 3.568 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.051 -6.903 5.753 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.161 -5.792 4.645 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.125 -5.532 3.205 1.00 0.00 H new ATOM 0 HG LEU A 52 -13.641 -4.052 4.520 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -12.881 -3.242 6.718 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -13.233 -4.986 6.743 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.547 -4.420 6.686 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.065 -2.162 4.655 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.699 -3.298 4.541 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.823 -3.118 3.173 1.00 0.00 H new ATOM 174 N ILE A 53 -14.660 -6.208 2.942 1.00 0.00 N ATOM 175 CA ILE A 53 -15.982 -5.941 2.388 1.00 0.00 C ATOM 176 C ILE A 53 -16.933 -7.105 2.650 1.00 0.00 C ATOM 177 O ILE A 53 -18.069 -6.906 3.079 1.00 0.00 O ATOM 178 CB ILE A 53 -15.914 -5.679 0.872 1.00 0.00 C ATOM 179 CG1 ILE A 53 -14.912 -4.564 0.570 1.00 0.00 C ATOM 180 CG2 ILE A 53 -17.292 -5.321 0.334 1.00 0.00 C ATOM 181 CD1 ILE A 53 -14.801 -4.233 -0.902 1.00 0.00 C ATOM 0 H ILE A 53 -13.897 -6.131 2.270 1.00 0.00 H new ATOM 0 HA ILE A 53 -16.359 -5.048 2.886 1.00 0.00 H new ATOM 0 HB ILE A 53 -15.577 -6.589 0.375 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -15.205 -3.666 1.115 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -13.931 -4.858 0.943 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -17.228 -5.139 -0.739 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -17.981 -6.145 0.521 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -17.656 -4.423 0.833 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -14.073 -3.434 -1.041 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -14.478 -5.118 -1.451 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -15.772 -3.908 -1.276 1.00 0.00 H new ATOM 193 N ALA A 54 -16.459 -8.319 2.389 1.00 0.00 N ATOM 194 CA ALA A 54 -17.265 -9.515 2.600 1.00 0.00 C ATOM 195 C ALA A 54 -17.860 -9.535 4.004 1.00 0.00 C ATOM 196 O ALA A 54 -19.079 -9.537 4.172 1.00 0.00 O ATOM 197 CB ALA A 54 -16.430 -10.763 2.360 1.00 0.00 C ATOM 0 H ALA A 54 -15.521 -8.500 2.031 1.00 0.00 H new ATOM 0 HA ALA A 54 -18.088 -9.500 1.885 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.045 -11.649 2.521 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -16.059 -10.761 1.335 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -15.587 -10.776 3.051 1.00 0.00 H new ATOM 203 N ALA A 55 -16.991 -9.551 5.009 1.00 0.00 N ATOM 204 CA ALA A 55 -17.431 -9.571 6.399 1.00 0.00 C ATOM 205 C ALA A 55 -18.442 -8.461 6.670 1.00 0.00 C ATOM 206 O ALA A 55 -19.361 -8.627 7.471 1.00 0.00 O ATOM 207 CB ALA A 55 -16.237 -9.439 7.333 1.00 0.00 C ATOM 0 H ALA A 55 -15.978 -9.551 4.887 1.00 0.00 H new ATOM 0 HA ALA A 55 -17.920 -10.527 6.586 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.581 -9.455 8.367 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -15.550 -10.269 7.165 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.723 -8.498 7.136 1.00 0.00 H new ATOM 213 N GLY A 56 -18.265 -7.328 5.998 1.00 0.00 N ATOM 214 CA GLY A 56 -19.168 -6.207 6.181 1.00 0.00 C ATOM 215 C GLY A 56 -20.603 -6.557 5.839 1.00 0.00 C ATOM 216 O GLY A 56 -21.498 -6.423 6.673 1.00 0.00 O ATOM 0 H GLY A 56 -17.512 -7.166 5.330 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -19.117 -5.868 7.216 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.841 -5.375 5.557 1.00 0.00 H new ATOM 220 N VAL A 57 -20.823 -7.007 4.608 1.00 0.00 N ATOM 221 CA VAL A 57 -22.160 -7.376 4.157 1.00 0.00 C ATOM 222 C VAL A 57 -22.697 -8.564 4.947 1.00 0.00 C ATOM 223 O VAL A 57 -23.889 -8.634 5.248 1.00 0.00 O ATOM 224 CB VAL A 57 -22.169 -7.725 2.657 1.00 0.00 C ATOM 225 CG1 VAL A 57 -23.595 -7.920 2.163 1.00 0.00 C ATOM 226 CG2 VAL A 57 -21.461 -6.644 1.854 1.00 0.00 C ATOM 0 H VAL A 57 -20.093 -7.125 3.905 1.00 0.00 H new ATOM 0 HA VAL A 57 -22.802 -6.511 4.325 1.00 0.00 H new ATOM 0 HB VAL A 57 -21.630 -8.662 2.516 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -23.582 -8.166 1.101 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -24.064 -8.732 2.718 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -24.162 -7.002 2.316 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -21.477 -6.907 0.796 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -21.970 -5.691 1.999 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -20.428 -6.558 2.191 1.00 0.00 H new ATOM 236 N ILE A 58 -21.811 -9.496 5.281 1.00 0.00 N ATOM 237 CA ILE A 58 -22.196 -10.680 6.038 1.00 0.00 C ATOM 238 C ILE A 58 -22.668 -10.307 7.439 1.00 0.00 C ATOM 239 O ILE A 58 -23.728 -10.745 7.886 1.00 0.00 O ATOM 240 CB ILE A 58 -21.030 -11.680 6.150 1.00 0.00 C ATOM 241 CG1 ILE A 58 -20.657 -12.220 4.768 1.00 0.00 C ATOM 242 CG2 ILE A 58 -21.399 -12.820 7.088 1.00 0.00 C ATOM 243 CD1 ILE A 58 -19.451 -13.132 4.781 1.00 0.00 C ATOM 0 H ILE A 58 -20.821 -9.454 5.039 1.00 0.00 H new ATOM 0 HA ILE A 58 -23.016 -11.150 5.494 1.00 0.00 H new ATOM 0 HB ILE A 58 -20.164 -11.161 6.562 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -21.508 -12.763 4.357 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -20.461 -11.381 4.100 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -20.565 -13.519 7.157 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -21.620 -12.420 8.078 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -22.276 -13.339 6.702 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -19.245 -13.477 3.768 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -18.587 -12.587 5.162 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -19.651 -13.990 5.423 1.00 0.00 H new ATOM 255 N GLY A 59 -21.874 -9.493 8.128 1.00 0.00 N ATOM 256 CA GLY A 59 -22.229 -9.073 9.472 1.00 0.00 C ATOM 257 C GLY A 59 -23.588 -8.405 9.530 1.00 0.00 C ATOM 258 O GLY A 59 -24.444 -8.792 10.325 1.00 0.00 O ATOM 0 H GLY A 59 -20.992 -9.117 7.780 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -22.225 -9.940 10.133 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -21.472 -8.383 9.846 1.00 0.00 H new ATOM 262 N GLY A 60 -23.788 -7.397 8.687 1.00 0.00 N ATOM 263 CA GLY A 60 -25.054 -6.688 8.664 1.00 0.00 C ATOM 264 C GLY A 60 -26.231 -7.612 8.419 1.00 0.00 C ATOM 265 O GLY A 60 -27.275 -7.482 9.059 1.00 0.00 O ATOM 0 H GLY A 60 -23.095 -7.058 8.019 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -25.194 -6.170 9.613 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -25.026 -5.926 7.885 1.00 0.00 H new ATOM 269 N LEU A 61 -26.064 -8.546 7.490 1.00 0.00 N ATOM 270 CA LEU A 61 -27.121 -9.495 7.160 1.00 0.00 C ATOM 271 C LEU A 61 -27.365 -10.462 8.315 1.00 0.00 C ATOM 272 O LEU A 61 -28.475 -10.551 8.839 1.00 0.00 O ATOM 273 CB LEU A 61 -26.758 -10.275 5.895 1.00 0.00 C ATOM 274 CG LEU A 61 -26.896 -9.516 4.575 1.00 0.00 C ATOM 275 CD1 LEU A 61 -26.390 -10.361 3.417 1.00 0.00 C ATOM 276 CD2 LEU A 61 -28.344 -9.105 4.345 1.00 0.00 C ATOM 0 H LEU A 61 -25.206 -8.667 6.951 1.00 0.00 H new ATOM 0 HA LEU A 61 -28.037 -8.932 6.982 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -25.728 -10.618 5.987 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -27.387 -11.164 5.847 1.00 0.00 H new ATOM 0 HG LEU A 61 -26.287 -8.614 4.632 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -26.496 -9.804 2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -25.340 -10.604 3.576 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -26.971 -11.281 3.357 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -28.424 -8.566 3.401 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -28.973 -9.994 4.309 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -28.673 -8.460 5.160 1.00 0.00 H new ATOM 288 N PHE A 62 -26.320 -11.182 8.707 1.00 0.00 N ATOM 289 CA PHE A 62 -26.420 -12.141 9.801 1.00 0.00 C ATOM 290 C PHE A 62 -27.034 -11.493 11.038 1.00 0.00 C ATOM 291 O PHE A 62 -28.029 -11.980 11.578 1.00 0.00 O ATOM 292 CB PHE A 62 -25.039 -12.706 10.140 1.00 0.00 C ATOM 293 CG PHE A 62 -25.065 -13.739 11.230 1.00 0.00 C ATOM 294 CD1 PHE A 62 -26.027 -14.736 11.235 1.00 0.00 C ATOM 295 CD2 PHE A 62 -24.127 -13.713 12.250 1.00 0.00 C ATOM 296 CE1 PHE A 62 -26.053 -15.688 12.237 1.00 0.00 C ATOM 297 CE2 PHE A 62 -24.149 -14.662 13.254 1.00 0.00 C ATOM 298 CZ PHE A 62 -25.113 -15.651 13.248 1.00 0.00 C ATOM 0 H PHE A 62 -25.394 -11.120 8.284 1.00 0.00 H new ATOM 0 HA PHE A 62 -27.069 -12.955 9.479 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -24.605 -13.147 9.243 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -24.385 -11.888 10.441 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -26.765 -14.770 10.447 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -23.370 -12.942 12.260 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -26.808 -16.460 12.229 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -23.413 -14.630 14.043 1.00 0.00 H new ATOM 0 HZ PHE A 62 -25.132 -16.394 14.032 1.00 0.00 H new ATOM 308 N ILE A 63 -26.435 -10.394 11.483 1.00 0.00 N ATOM 309 CA ILE A 63 -26.923 -9.679 12.655 1.00 0.00 C ATOM 310 C ILE A 63 -28.408 -9.359 12.526 1.00 0.00 C ATOM 311 O ILE A 63 -29.178 -9.537 13.471 1.00 0.00 O ATOM 312 CB ILE A 63 -26.145 -8.369 12.880 1.00 0.00 C ATOM 313 CG1 ILE A 63 -24.696 -8.670 13.266 1.00 0.00 C ATOM 314 CG2 ILE A 63 -26.821 -7.528 13.953 1.00 0.00 C ATOM 315 CD1 ILE A 63 -24.556 -9.331 14.620 1.00 0.00 C ATOM 0 H ILE A 63 -25.610 -9.979 11.049 1.00 0.00 H new ATOM 0 HA ILE A 63 -26.769 -10.336 13.511 1.00 0.00 H new ATOM 0 HB ILE A 63 -26.143 -7.802 11.949 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -24.253 -9.316 12.508 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -24.127 -7.740 13.264 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -26.259 -6.606 14.100 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -27.837 -7.288 13.640 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -26.852 -8.087 14.888 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -23.502 -9.515 14.828 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -24.969 -8.677 15.388 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -25.096 -10.278 14.620 1.00 0.00 H new ATOM 327 N LEU A 64 -28.806 -8.888 11.349 1.00 0.00 N ATOM 328 CA LEU A 64 -30.201 -8.545 11.094 1.00 0.00 C ATOM 329 C LEU A 64 -31.084 -9.788 11.138 1.00 0.00 C ATOM 330 O LEU A 64 -32.218 -9.740 11.614 1.00 0.00 O ATOM 331 CB LEU A 64 -30.336 -7.857 9.734 1.00 0.00 C ATOM 332 CG LEU A 64 -29.880 -6.399 9.671 1.00 0.00 C ATOM 333 CD1 LEU A 64 -29.728 -5.949 8.227 1.00 0.00 C ATOM 334 CD2 LEU A 64 -30.861 -5.501 10.411 1.00 0.00 C ATOM 0 H LEU A 64 -28.183 -8.735 10.556 1.00 0.00 H new ATOM 0 HA LEU A 64 -30.531 -7.860 11.875 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -29.764 -8.428 9.002 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -31.381 -7.903 9.428 1.00 0.00 H new ATOM 0 HG LEU A 64 -28.908 -6.321 10.158 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -29.403 -4.909 8.202 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -28.987 -6.573 7.728 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -30.685 -6.042 7.714 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -30.521 -4.467 10.356 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -31.847 -5.583 9.953 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -30.919 -5.809 11.455 1.00 0.00 H new ATOM 346 N VAL A 65 -30.555 -10.901 10.640 1.00 0.00 N ATOM 347 CA VAL A 65 -31.294 -12.158 10.625 1.00 0.00 C ATOM 348 C VAL A 65 -31.730 -12.556 12.031 1.00 0.00 C ATOM 349 O VAL A 65 -32.889 -12.907 12.256 1.00 0.00 O ATOM 350 CB VAL A 65 -30.453 -13.297 10.019 1.00 0.00 C ATOM 351 CG1 VAL A 65 -31.214 -14.613 10.076 1.00 0.00 C ATOM 352 CG2 VAL A 65 -30.055 -12.963 8.589 1.00 0.00 C ATOM 0 H VAL A 65 -29.618 -10.958 10.242 1.00 0.00 H new ATOM 0 HA VAL A 65 -32.176 -11.999 10.005 1.00 0.00 H new ATOM 0 HB VAL A 65 -29.543 -13.406 10.609 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -30.603 -15.405 9.643 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -31.442 -14.857 11.114 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -32.142 -14.521 9.512 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -29.461 -13.779 8.177 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -30.952 -12.825 7.985 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -29.467 -12.045 8.580 1.00 0.00 H new ATOM 362 N ILE A 66 -30.795 -12.498 12.973 1.00 0.00 N ATOM 363 CA ILE A 66 -31.083 -12.850 14.358 1.00 0.00 C ATOM 364 C ILE A 66 -32.105 -11.896 14.966 1.00 0.00 C ATOM 365 O ILE A 66 -33.158 -12.318 15.444 1.00 0.00 O ATOM 366 CB ILE A 66 -29.807 -12.836 15.220 1.00 0.00 C ATOM 367 CG1 ILE A 66 -28.742 -13.748 14.608 1.00 0.00 C ATOM 368 CG2 ILE A 66 -30.125 -13.265 16.644 1.00 0.00 C ATOM 369 CD1 ILE A 66 -27.471 -13.023 14.227 1.00 0.00 C ATOM 0 H ILE A 66 -29.831 -12.211 12.802 1.00 0.00 H new ATOM 0 HA ILE A 66 -31.493 -13.860 14.348 1.00 0.00 H new ATOM 0 HB ILE A 66 -29.416 -11.819 15.247 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -28.500 -14.538 15.319 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -29.155 -14.231 13.722 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -29.213 -13.250 17.241 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -30.853 -12.579 17.077 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -30.537 -14.274 16.637 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -26.762 -13.732 13.800 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -27.699 -12.251 13.492 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -27.035 -12.563 15.114 1.00 0.00 H new ATOM 381 N VAL A 67 -31.788 -10.605 14.944 1.00 0.00 N ATOM 382 CA VAL A 67 -32.679 -9.589 15.492 1.00 0.00 C ATOM 383 C VAL A 67 -34.075 -9.700 14.888 1.00 0.00 C ATOM 384 O VAL A 67 -35.067 -9.800 15.608 1.00 0.00 O ATOM 385 CB VAL A 67 -32.134 -8.170 15.241 1.00 0.00 C ATOM 386 CG1 VAL A 67 -32.996 -7.135 15.947 1.00 0.00 C ATOM 387 CG2 VAL A 67 -30.685 -8.069 15.693 1.00 0.00 C ATOM 0 H VAL A 67 -30.921 -10.238 14.552 1.00 0.00 H new ATOM 0 HA VAL A 67 -32.736 -9.763 16.566 1.00 0.00 H new ATOM 0 HB VAL A 67 -32.171 -7.968 14.170 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -32.596 -6.139 15.759 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -34.017 -7.193 15.570 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -32.994 -7.330 17.019 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -30.316 -7.060 15.508 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -30.620 -8.290 16.758 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -30.080 -8.784 15.136 1.00 0.00 H new ATOM 397 N GLY A 68 -34.143 -9.682 13.560 1.00 0.00 N ATOM 398 CA GLY A 68 -35.421 -9.781 12.882 1.00 0.00 C ATOM 399 C GLY A 68 -36.238 -10.967 13.355 1.00 0.00 C ATOM 400 O GLY A 68 -37.370 -10.808 13.814 1.00 0.00 O ATOM 0 H GLY A 68 -33.335 -9.601 12.942 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -35.988 -8.865 13.046 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -35.254 -9.864 11.808 1.00 0.00 H new ATOM 404 N LEU A 69 -35.666 -12.161 13.242 1.00 0.00 N ATOM 405 CA LEU A 69 -36.349 -13.380 13.660 1.00 0.00 C ATOM 406 C LEU A 69 -36.737 -13.308 15.133 1.00 0.00 C ATOM 407 O LEU A 69 -37.847 -13.684 15.514 1.00 0.00 O ATOM 408 CB LEU A 69 -35.456 -14.598 13.415 1.00 0.00 C ATOM 409 CG LEU A 69 -35.330 -15.056 11.961 1.00 0.00 C ATOM 410 CD1 LEU A 69 -34.409 -16.262 11.860 1.00 0.00 C ATOM 411 CD2 LEU A 69 -36.700 -15.377 11.383 1.00 0.00 C ATOM 0 H LEU A 69 -34.730 -12.311 12.864 1.00 0.00 H new ATOM 0 HA LEU A 69 -37.259 -13.479 13.068 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -34.458 -14.374 13.792 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -35.840 -15.430 14.005 1.00 0.00 H new ATOM 0 HG LEU A 69 -34.895 -14.243 11.379 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -34.331 -16.574 10.819 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -33.420 -15.997 12.234 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -34.815 -17.080 12.455 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -36.591 -15.701 10.348 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -37.163 -16.173 11.966 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -37.328 -14.487 11.420 1.00 0.00 H new ATOM 423 N THR A 70 -35.817 -12.821 15.960 1.00 0.00 N ATOM 424 CA THR A 70 -36.063 -12.698 17.391 1.00 0.00 C ATOM 425 C THR A 70 -37.367 -11.958 17.663 1.00 0.00 C ATOM 426 O THR A 70 -38.111 -12.307 18.581 1.00 0.00 O ATOM 427 CB THR A 70 -34.910 -11.961 18.098 1.00 0.00 C ATOM 428 OG1 THR A 70 -33.714 -12.745 18.032 1.00 0.00 O ATOM 429 CG2 THR A 70 -35.259 -11.680 19.552 1.00 0.00 C ATOM 0 H THR A 70 -34.894 -12.505 15.662 1.00 0.00 H new ATOM 0 HA THR A 70 -36.134 -13.711 17.788 1.00 0.00 H new ATOM 0 HB THR A 70 -34.749 -11.011 17.589 1.00 0.00 H new ATOM 0 HG1 THR A 70 -33.298 -12.634 17.151 1.00 0.00 H new ATOM 0 HG21 THR A 70 -34.430 -11.159 20.031 1.00 0.00 H new ATOM 0 HG22 THR A 70 -36.153 -11.059 19.598 1.00 0.00 H new ATOM 0 HG23 THR A 70 -35.444 -12.621 20.070 1.00 0.00 H new ATOM 437 N PHE A 71 -37.641 -10.936 16.860 1.00 0.00 N ATOM 438 CA PHE A 71 -38.857 -10.146 17.015 1.00 0.00 C ATOM 439 C PHE A 71 -40.084 -10.948 16.593 1.00 0.00 C ATOM 440 O PHE A 71 -41.069 -11.029 17.327 1.00 0.00 O ATOM 441 CB PHE A 71 -38.764 -8.861 16.190 1.00 0.00 C ATOM 442 CG PHE A 71 -40.000 -8.010 16.265 1.00 0.00 C ATOM 443 CD1 PHE A 71 -40.608 -7.754 17.483 1.00 0.00 C ATOM 444 CD2 PHE A 71 -40.553 -7.466 15.117 1.00 0.00 C ATOM 445 CE1 PHE A 71 -41.745 -6.972 17.554 1.00 0.00 C ATOM 446 CE2 PHE A 71 -41.690 -6.683 15.182 1.00 0.00 C ATOM 447 CZ PHE A 71 -42.286 -6.435 16.403 1.00 0.00 C ATOM 0 H PHE A 71 -37.037 -10.635 16.095 1.00 0.00 H new ATOM 0 HA PHE A 71 -38.960 -9.886 18.069 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -37.910 -8.278 16.535 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -38.574 -9.120 15.149 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -40.189 -8.170 18.387 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -40.090 -7.656 14.160 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -42.210 -6.781 18.510 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -42.112 -6.266 14.280 1.00 0.00 H new ATOM 0 HZ PHE A 71 -43.174 -5.822 16.457 1.00 0.00 H new ATOM 457 N ALA A 72 -40.017 -11.539 15.404 1.00 0.00 N ATOM 458 CA ALA A 72 -41.121 -12.335 14.884 1.00 0.00 C ATOM 459 C ALA A 72 -41.399 -13.538 15.778 1.00 0.00 C ATOM 460 O ALA A 72 -42.526 -14.030 15.842 1.00 0.00 O ATOM 461 CB ALA A 72 -40.820 -12.790 13.463 1.00 0.00 C ATOM 0 H ALA A 72 -39.210 -11.481 14.783 1.00 0.00 H new ATOM 0 HA ALA A 72 -42.014 -11.709 14.873 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -41.653 -13.384 13.087 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -40.678 -11.918 12.824 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -39.913 -13.394 13.459 1.00 0.00 H new ATOM 467 N VAL A 73 -40.365 -14.009 16.468 1.00 0.00 N ATOM 468 CA VAL A 73 -40.499 -15.155 17.360 1.00 0.00 C ATOM 469 C VAL A 73 -41.052 -14.733 18.717 1.00 0.00 C ATOM 470 O VAL A 73 -41.936 -15.390 19.269 1.00 0.00 O ATOM 471 CB VAL A 73 -39.148 -15.865 17.567 1.00 0.00 C ATOM 472 CG1 VAL A 73 -39.289 -17.000 18.571 1.00 0.00 C ATOM 473 CG2 VAL A 73 -38.608 -16.379 16.241 1.00 0.00 C ATOM 0 H VAL A 73 -39.425 -13.615 16.426 1.00 0.00 H new ATOM 0 HA VAL A 73 -41.196 -15.846 16.886 1.00 0.00 H new ATOM 0 HB VAL A 73 -38.436 -15.144 17.968 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -38.324 -17.490 18.704 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -39.628 -16.600 19.527 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -40.016 -17.724 18.202 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -37.653 -16.878 16.406 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -39.317 -17.086 15.809 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -38.467 -15.542 15.557 1.00 0.00 H new ATOM 483 N TYR A 74 -40.528 -13.635 19.248 1.00 0.00 N ATOM 484 CA TYR A 74 -40.968 -13.126 20.542 1.00 0.00 C ATOM 485 C TYR A 74 -42.471 -12.864 20.541 1.00 0.00 C ATOM 486 O TYR A 74 -43.171 -13.187 21.501 1.00 0.00 O ATOM 487 CB TYR A 74 -40.215 -11.842 20.892 1.00 0.00 C ATOM 488 CG TYR A 74 -40.367 -11.425 22.337 1.00 0.00 C ATOM 489 CD1 TYR A 74 -41.583 -10.961 22.823 1.00 0.00 C ATOM 490 CD2 TYR A 74 -39.295 -11.498 23.218 1.00 0.00 C ATOM 491 CE1 TYR A 74 -41.726 -10.578 24.143 1.00 0.00 C ATOM 492 CE2 TYR A 74 -39.429 -11.119 24.540 1.00 0.00 C ATOM 493 CZ TYR A 74 -40.647 -10.660 24.997 1.00 0.00 C ATOM 494 OH TYR A 74 -40.785 -10.281 26.313 1.00 0.00 O ATOM 0 H TYR A 74 -39.798 -13.079 18.803 1.00 0.00 H new ATOM 0 HA TYR A 74 -40.750 -13.883 21.295 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -39.156 -11.980 20.672 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -40.571 -11.036 20.251 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -42.431 -10.899 22.158 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -38.340 -11.857 22.863 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -42.678 -10.216 24.504 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -38.585 -11.182 25.211 1.00 0.00 H new ATOM 0 HH TYR A 74 -39.931 -10.401 26.779 1.00 0.00 H new ATOM 504 N VAL A 75 -42.962 -12.274 19.455 1.00 0.00 N ATOM 505 CA VAL A 75 -44.382 -11.969 19.326 1.00 0.00 C ATOM 506 C VAL A 75 -45.215 -13.244 19.265 1.00 0.00 C ATOM 507 O VAL A 75 -46.240 -13.361 19.937 1.00 0.00 O ATOM 508 CB VAL A 75 -44.662 -11.125 18.069 1.00 0.00 C ATOM 509 CG1 VAL A 75 -46.159 -10.926 17.882 1.00 0.00 C ATOM 510 CG2 VAL A 75 -43.945 -9.786 18.155 1.00 0.00 C ATOM 0 H VAL A 75 -42.397 -11.998 18.652 1.00 0.00 H new ATOM 0 HA VAL A 75 -44.664 -11.397 20.210 1.00 0.00 H new ATOM 0 HB VAL A 75 -44.279 -11.661 17.200 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -46.338 -10.327 16.989 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -46.644 -11.896 17.772 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -46.569 -10.412 18.751 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -44.154 -9.203 17.258 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -44.295 -9.241 19.032 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -42.871 -9.953 18.237 1.00 0.00 H new ATOM 520 N ARG A 76 -44.768 -14.198 18.455 1.00 0.00 N ATOM 521 CA ARG A 76 -45.472 -15.466 18.306 1.00 0.00 C ATOM 522 C ARG A 76 -45.745 -16.100 19.667 1.00 0.00 C ATOM 523 O ARG A 76 -46.819 -16.655 19.900 1.00 0.00 O ATOM 524 CB ARG A 76 -44.659 -16.427 17.437 1.00 0.00 C ATOM 525 CG ARG A 76 -44.614 -16.033 15.970 1.00 0.00 C ATOM 526 CD ARG A 76 -45.439 -16.980 15.114 1.00 0.00 C ATOM 527 NE ARG A 76 -46.110 -16.284 14.018 1.00 0.00 N ATOM 528 CZ ARG A 76 -47.022 -16.851 13.237 1.00 0.00 C ATOM 529 NH1 ARG A 76 -47.371 -18.115 13.429 1.00 0.00 N ATOM 530 NH2 ARG A 76 -47.587 -16.152 12.260 1.00 0.00 N ATOM 0 H ARG A 76 -43.921 -14.117 17.892 1.00 0.00 H new ATOM 0 HA ARG A 76 -46.427 -15.267 17.819 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -43.641 -16.478 17.822 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -45.083 -17.428 17.523 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -44.988 -15.016 15.854 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -43.581 -16.034 15.623 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -44.792 -17.758 14.708 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -46.183 -17.477 15.737 1.00 0.00 H new ATOM 0 HE ARG A 76 -45.864 -15.310 13.843 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -46.939 -18.655 14.178 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -48.072 -18.548 12.827 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -47.321 -15.179 12.109 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -48.288 -16.588 11.660 1.00 0.00 H new ATOM 544 N ARG A 77 -44.766 -16.014 20.561 1.00 0.00 N ATOM 545 CA ARG A 77 -44.900 -16.580 21.898 1.00 0.00 C ATOM 546 C ARG A 77 -46.175 -16.084 22.573 1.00 0.00 C ATOM 547 O ARG A 77 -46.717 -16.743 23.461 1.00 0.00 O ATOM 548 CB ARG A 77 -43.683 -16.219 22.752 1.00 0.00 C ATOM 549 CG ARG A 77 -42.436 -17.015 22.404 1.00 0.00 C ATOM 550 CD ARG A 77 -41.171 -16.258 22.774 1.00 0.00 C ATOM 551 NE ARG A 77 -40.221 -17.100 23.498 1.00 0.00 N ATOM 552 CZ ARG A 77 -40.374 -17.454 24.769 1.00 0.00 C ATOM 553 NH1 ARG A 77 -41.433 -17.042 25.453 1.00 0.00 N ATOM 554 NH2 ARG A 77 -39.467 -18.222 25.359 1.00 0.00 N ATOM 0 H ARG A 77 -43.871 -15.558 20.384 1.00 0.00 H new ATOM 0 HA ARG A 77 -44.959 -17.664 21.802 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -43.470 -15.157 22.635 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -43.926 -16.381 23.802 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -42.455 -17.971 22.927 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -42.430 -17.236 21.337 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -40.700 -15.875 21.869 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -41.431 -15.395 23.387 1.00 0.00 H new ATOM 0 HE ARG A 77 -39.396 -17.434 23.000 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -42.133 -16.452 25.003 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -41.548 -17.316 26.429 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -38.651 -18.541 24.836 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -39.586 -18.493 26.335 1.00 0.00 H new ATOM 568 N LYS A 78 -46.649 -14.918 22.147 1.00 0.00 N ATOM 569 CA LYS A 78 -47.860 -14.333 22.709 1.00 0.00 C ATOM 570 C LYS A 78 -49.102 -14.881 22.014 1.00 0.00 C ATOM 571 O LYS A 78 -50.049 -15.318 22.667 1.00 0.00 O ATOM 572 CB LYS A 78 -47.822 -12.809 22.581 1.00 0.00 C ATOM 573 CG LYS A 78 -47.648 -12.091 23.908 1.00 0.00 C ATOM 574 CD LYS A 78 -46.942 -10.757 23.733 1.00 0.00 C ATOM 575 CE LYS A 78 -47.687 -9.634 24.438 1.00 0.00 C ATOM 576 NZ LYS A 78 -48.664 -8.965 23.536 1.00 0.00 N ATOM 0 H LYS A 78 -46.212 -14.359 21.414 1.00 0.00 H new ATOM 0 HA LYS A 78 -47.907 -14.602 23.764 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -47.005 -12.529 21.916 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -48.745 -12.469 22.112 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -48.624 -11.930 24.366 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -47.076 -12.720 24.590 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -45.928 -10.826 24.128 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -46.855 -10.527 22.671 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -48.210 -10.034 25.307 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -46.971 -8.899 24.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -49.151 -8.206 24.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -48.162 -8.561 22.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -49.362 -9.660 23.204 1.00 0.00 H new ATOM 875 N LEU B 52 -10.903 -7.288 8.825 1.00 0.00 N ATOM 876 CA LEU B 52 -11.944 -8.307 8.742 1.00 0.00 C ATOM 877 C LEU B 52 -12.865 -8.244 9.957 1.00 0.00 C ATOM 878 O LEU B 52 -14.034 -7.875 9.842 1.00 0.00 O ATOM 879 CB LEU B 52 -11.316 -9.698 8.636 1.00 0.00 C ATOM 880 CG LEU B 52 -12.293 -10.871 8.550 1.00 0.00 C ATOM 881 CD1 LEU B 52 -13.119 -10.785 7.277 1.00 0.00 C ATOM 882 CD2 LEU B 52 -11.545 -12.194 8.615 1.00 0.00 C ATOM 0 HA LEU B 52 -12.537 -8.114 7.848 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -10.676 -9.719 7.754 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -10.672 -9.851 9.502 1.00 0.00 H new ATOM 0 HG LEU B 52 -12.971 -10.818 9.402 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -13.809 -11.628 7.233 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -13.684 -9.853 7.272 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -12.457 -10.812 6.411 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -12.256 -13.018 8.552 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -10.843 -12.257 7.783 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -10.999 -12.257 9.556 1.00 0.00 H new ATOM 894 N ILE B 53 -12.330 -8.606 11.118 1.00 0.00 N ATOM 895 CA ILE B 53 -13.103 -8.587 12.353 1.00 0.00 C ATOM 896 C ILE B 53 -13.719 -7.213 12.596 1.00 0.00 C ATOM 897 O ILE B 53 -14.900 -7.100 12.923 1.00 0.00 O ATOM 898 CB ILE B 53 -12.235 -8.969 13.567 1.00 0.00 C ATOM 899 CG1 ILE B 53 -11.546 -10.314 13.325 1.00 0.00 C ATOM 900 CG2 ILE B 53 -13.083 -9.022 14.829 1.00 0.00 C ATOM 901 CD1 ILE B 53 -10.689 -10.771 14.484 1.00 0.00 C ATOM 0 H ILE B 53 -11.365 -8.916 11.229 1.00 0.00 H new ATOM 0 HA ILE B 53 -13.898 -9.324 12.238 1.00 0.00 H new ATOM 0 HB ILE B 53 -11.467 -8.207 13.701 1.00 0.00 H new ATOM 0 HG12 ILE B 53 -12.304 -11.071 13.124 1.00 0.00 H new ATOM 0 HG13 ILE B 53 -10.925 -10.240 12.432 1.00 0.00 H new ATOM 0 HG21 ILE B 53 -12.455 -9.293 15.678 1.00 0.00 H new ATOM 0 HG22 ILE B 53 -13.532 -8.045 15.007 1.00 0.00 H new ATOM 0 HG23 ILE B 53 -13.870 -9.766 14.707 1.00 0.00 H new ATOM 0 HD11 ILE B 53 -10.232 -11.731 14.242 1.00 0.00 H new ATOM 0 HD12 ILE B 53 -9.908 -10.034 14.672 1.00 0.00 H new ATOM 0 HD13 ILE B 53 -11.308 -10.878 15.374 1.00 0.00 H new ATOM 913 N ALA B 54 -12.910 -6.171 12.431 1.00 0.00 N ATOM 914 CA ALA B 54 -13.376 -4.804 12.628 1.00 0.00 C ATOM 915 C ALA B 54 -14.651 -4.539 11.833 1.00 0.00 C ATOM 916 O ALA B 54 -15.692 -4.216 12.403 1.00 0.00 O ATOM 917 CB ALA B 54 -12.290 -3.814 12.233 1.00 0.00 C ATOM 0 H ALA B 54 -11.929 -6.248 12.162 1.00 0.00 H new ATOM 0 HA ALA B 54 -13.604 -4.673 13.686 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -12.652 -2.797 12.385 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -11.405 -3.980 12.848 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -12.034 -3.955 11.183 1.00 0.00 H new ATOM 923 N ALA B 55 -14.560 -4.676 10.515 1.00 0.00 N ATOM 924 CA ALA B 55 -15.706 -4.452 9.643 1.00 0.00 C ATOM 925 C ALA B 55 -16.920 -5.243 10.118 1.00 0.00 C ATOM 926 O ALA B 55 -18.054 -4.778 10.017 1.00 0.00 O ATOM 927 CB ALA B 55 -15.359 -4.825 8.209 1.00 0.00 C ATOM 0 H ALA B 55 -13.704 -4.941 10.027 1.00 0.00 H new ATOM 0 HA ALA B 55 -15.958 -3.392 9.680 1.00 0.00 H new ATOM 0 HB1 ALA B 55 -16.224 -4.653 7.569 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -14.525 -4.213 7.865 1.00 0.00 H new ATOM 0 HB3 ALA B 55 -15.079 -5.877 8.164 1.00 0.00 H new ATOM 933 N GLY B 56 -16.674 -6.443 10.635 1.00 0.00 N ATOM 934 CA GLY B 56 -17.757 -7.279 11.117 1.00 0.00 C ATOM 935 C GLY B 56 -18.572 -6.604 12.202 1.00 0.00 C ATOM 936 O GLY B 56 -19.785 -6.442 12.067 1.00 0.00 O ATOM 0 H GLY B 56 -15.744 -6.851 10.728 1.00 0.00 H new ATOM 0 HA2 GLY B 56 -18.411 -7.538 10.284 1.00 0.00 H new ATOM 0 HA3 GLY B 56 -17.347 -8.213 11.502 1.00 0.00 H new ATOM 940 N VAL B 57 -17.906 -6.210 13.283 1.00 0.00 N ATOM 941 CA VAL B 57 -18.577 -5.549 14.396 1.00 0.00 C ATOM 942 C VAL B 57 -19.167 -4.212 13.966 1.00 0.00 C ATOM 943 O VAL B 57 -20.249 -3.827 14.411 1.00 0.00 O ATOM 944 CB VAL B 57 -17.612 -5.317 15.574 1.00 0.00 C ATOM 945 CG1 VAL B 57 -18.368 -4.807 16.791 1.00 0.00 C ATOM 946 CG2 VAL B 57 -16.856 -6.595 15.904 1.00 0.00 C ATOM 0 H VAL B 57 -16.902 -6.337 13.411 1.00 0.00 H new ATOM 0 HA VAL B 57 -19.381 -6.210 14.719 1.00 0.00 H new ATOM 0 HB VAL B 57 -16.886 -4.558 15.282 1.00 0.00 H new ATOM 0 HG11 VAL B 57 -17.670 -4.649 17.613 1.00 0.00 H new ATOM 0 HG12 VAL B 57 -18.859 -3.865 16.546 1.00 0.00 H new ATOM 0 HG13 VAL B 57 -19.118 -5.541 17.088 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -16.179 -6.412 16.739 1.00 0.00 H new ATOM 0 HG22 VAL B 57 -17.565 -7.377 16.176 1.00 0.00 H new ATOM 0 HG23 VAL B 57 -16.282 -6.913 15.034 1.00 0.00 H new ATOM 956 N ILE B 58 -18.450 -3.507 13.097 1.00 0.00 N ATOM 957 CA ILE B 58 -18.905 -2.212 12.605 1.00 0.00 C ATOM 958 C ILE B 58 -20.191 -2.351 11.798 1.00 0.00 C ATOM 959 O ILE B 58 -21.148 -1.606 12.002 1.00 0.00 O ATOM 960 CB ILE B 58 -17.834 -1.535 11.730 1.00 0.00 C ATOM 961 CG1 ILE B 58 -16.599 -1.196 12.567 1.00 0.00 C ATOM 962 CG2 ILE B 58 -18.398 -0.282 11.077 1.00 0.00 C ATOM 963 CD1 ILE B 58 -15.453 -0.636 11.755 1.00 0.00 C ATOM 0 H ILE B 58 -17.552 -3.810 12.719 1.00 0.00 H new ATOM 0 HA ILE B 58 -19.094 -1.591 13.480 1.00 0.00 H new ATOM 0 HB ILE B 58 -17.537 -2.229 10.944 1.00 0.00 H new ATOM 0 HG12 ILE B 58 -16.877 -0.473 13.334 1.00 0.00 H new ATOM 0 HG13 ILE B 58 -16.262 -2.095 13.083 1.00 0.00 H new ATOM 0 HG21 ILE B 58 -17.629 0.185 10.462 1.00 0.00 H new ATOM 0 HG22 ILE B 58 -19.250 -0.549 10.452 1.00 0.00 H new ATOM 0 HG23 ILE B 58 -18.720 0.417 11.849 1.00 0.00 H new ATOM 0 HD11 ILE B 58 -14.612 -0.419 12.414 1.00 0.00 H new ATOM 0 HD12 ILE B 58 -15.148 -1.366 11.005 1.00 0.00 H new ATOM 0 HD13 ILE B 58 -15.772 0.281 11.260 1.00 0.00 H new ATOM 975 N GLY B 59 -20.207 -3.314 10.880 1.00 0.00 N ATOM 976 CA GLY B 59 -21.381 -3.535 10.057 1.00 0.00 C ATOM 977 C GLY B 59 -22.620 -3.824 10.881 1.00 0.00 C ATOM 978 O GLY B 59 -23.658 -3.190 10.698 1.00 0.00 O ATOM 0 H GLY B 59 -19.427 -3.944 10.692 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -21.557 -2.656 9.437 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -21.195 -4.369 9.381 1.00 0.00 H new ATOM 982 N GLY B 60 -22.513 -4.788 11.791 1.00 0.00 N ATOM 983 CA GLY B 60 -23.641 -5.145 12.630 1.00 0.00 C ATOM 984 C GLY B 60 -24.172 -3.965 13.420 1.00 0.00 C ATOM 985 O GLY B 60 -25.385 -3.791 13.551 1.00 0.00 O ATOM 0 H GLY B 60 -21.665 -5.328 11.962 1.00 0.00 H new ATOM 0 HA2 GLY B 60 -24.439 -5.550 12.008 1.00 0.00 H new ATOM 0 HA3 GLY B 60 -23.342 -5.935 13.319 1.00 0.00 H new ATOM 989 N LEU B 61 -23.264 -3.153 13.950 1.00 0.00 N ATOM 990 CA LEU B 61 -23.648 -1.984 14.733 1.00 0.00 C ATOM 991 C LEU B 61 -24.290 -0.921 13.847 1.00 0.00 C ATOM 992 O LEU B 61 -25.443 -0.542 14.051 1.00 0.00 O ATOM 993 CB LEU B 61 -22.426 -1.400 15.445 1.00 0.00 C ATOM 994 CG LEU B 61 -21.970 -2.134 16.707 1.00 0.00 C ATOM 995 CD1 LEU B 61 -20.684 -1.525 17.243 1.00 0.00 C ATOM 996 CD2 LEU B 61 -23.061 -2.100 17.767 1.00 0.00 C ATOM 0 H LEU B 61 -22.257 -3.283 13.852 1.00 0.00 H new ATOM 0 HA LEU B 61 -24.379 -2.300 15.477 1.00 0.00 H new ATOM 0 HB2 LEU B 61 -21.595 -1.380 14.740 1.00 0.00 H new ATOM 0 HB3 LEU B 61 -22.645 -0.365 15.709 1.00 0.00 H new ATOM 0 HG LEU B 61 -21.775 -3.175 16.449 1.00 0.00 H new ATOM 0 HD11 LEU B 61 -20.375 -2.060 18.141 1.00 0.00 H new ATOM 0 HD12 LEU B 61 -19.902 -1.602 16.487 1.00 0.00 H new ATOM 0 HD13 LEU B 61 -20.852 -0.476 17.486 1.00 0.00 H new ATOM 0 HD21 LEU B 61 -22.719 -2.627 18.658 1.00 0.00 H new ATOM 0 HD22 LEU B 61 -23.288 -1.065 18.022 1.00 0.00 H new ATOM 0 HD23 LEU B 61 -23.958 -2.584 17.381 1.00 0.00 H new ATOM 1008 N PHE B 62 -23.536 -0.446 12.860 1.00 0.00 N ATOM 1009 CA PHE B 62 -24.033 0.571 11.941 1.00 0.00 C ATOM 1010 C PHE B 62 -25.380 0.162 11.353 1.00 0.00 C ATOM 1011 O PHE B 62 -26.364 0.895 11.460 1.00 0.00 O ATOM 1012 CB PHE B 62 -23.023 0.809 10.817 1.00 0.00 C ATOM 1013 CG PHE B 62 -23.438 1.886 9.856 1.00 0.00 C ATOM 1014 CD1 PHE B 62 -23.953 3.086 10.320 1.00 0.00 C ATOM 1015 CD2 PHE B 62 -23.314 1.699 8.488 1.00 0.00 C ATOM 1016 CE1 PHE B 62 -24.336 4.079 9.438 1.00 0.00 C ATOM 1017 CE2 PHE B 62 -23.695 2.689 7.602 1.00 0.00 C ATOM 1018 CZ PHE B 62 -24.208 3.880 8.078 1.00 0.00 C ATOM 0 H PHE B 62 -22.579 -0.749 12.677 1.00 0.00 H new ATOM 0 HA PHE B 62 -24.168 1.497 12.501 1.00 0.00 H new ATOM 0 HB2 PHE B 62 -22.061 1.075 11.254 1.00 0.00 H new ATOM 0 HB3 PHE B 62 -22.877 -0.121 10.267 1.00 0.00 H new ATOM 0 HD1 PHE B 62 -24.056 3.247 11.383 1.00 0.00 H new ATOM 0 HD2 PHE B 62 -22.915 0.769 8.110 1.00 0.00 H new ATOM 0 HE1 PHE B 62 -24.735 5.010 9.813 1.00 0.00 H new ATOM 0 HE2 PHE B 62 -23.592 2.532 6.539 1.00 0.00 H new ATOM 0 HZ PHE B 62 -24.508 4.654 7.387 1.00 0.00 H new ATOM 1028 N ILE B 63 -25.415 -1.011 10.731 1.00 0.00 N ATOM 1029 CA ILE B 63 -26.640 -1.518 10.126 1.00 0.00 C ATOM 1030 C ILE B 63 -27.789 -1.518 11.128 1.00 0.00 C ATOM 1031 O ILE B 63 -28.915 -1.141 10.799 1.00 0.00 O ATOM 1032 CB ILE B 63 -26.450 -2.946 9.580 1.00 0.00 C ATOM 1033 CG1 ILE B 63 -25.462 -2.941 8.412 1.00 0.00 C ATOM 1034 CG2 ILE B 63 -27.787 -3.530 9.148 1.00 0.00 C ATOM 1035 CD1 ILE B 63 -25.975 -2.213 7.189 1.00 0.00 C ATOM 0 H ILE B 63 -24.609 -1.628 10.633 1.00 0.00 H new ATOM 0 HA ILE B 63 -26.882 -0.851 9.299 1.00 0.00 H new ATOM 0 HB ILE B 63 -26.042 -3.572 10.374 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -24.531 -2.477 8.737 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -25.228 -3.970 8.140 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -27.636 -4.539 8.765 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -28.463 -3.564 10.003 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -28.221 -2.906 8.367 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -25.222 -2.250 6.401 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -26.890 -2.690 6.839 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -26.182 -1.174 7.444 1.00 0.00 H new ATOM 1047 N LEU B 64 -27.498 -1.941 12.353 1.00 0.00 N ATOM 1048 CA LEU B 64 -28.507 -1.988 13.406 1.00 0.00 C ATOM 1049 C LEU B 64 -28.969 -0.583 13.781 1.00 0.00 C ATOM 1050 O LEU B 64 -30.150 -0.357 14.046 1.00 0.00 O ATOM 1051 CB LEU B 64 -27.951 -2.700 14.641 1.00 0.00 C ATOM 1052 CG LEU B 64 -28.029 -4.227 14.627 1.00 0.00 C ATOM 1053 CD1 LEU B 64 -27.160 -4.816 15.727 1.00 0.00 C ATOM 1054 CD2 LEU B 64 -29.471 -4.689 14.779 1.00 0.00 C ATOM 0 H LEU B 64 -26.572 -2.256 12.642 1.00 0.00 H new ATOM 0 HA LEU B 64 -29.365 -2.544 13.028 1.00 0.00 H new ATOM 0 HB2 LEU B 64 -26.907 -2.411 14.763 1.00 0.00 H new ATOM 0 HB3 LEU B 64 -28.488 -2.337 15.518 1.00 0.00 H new ATOM 0 HG LEU B 64 -27.654 -4.582 13.667 1.00 0.00 H new ATOM 0 HD11 LEU B 64 -27.228 -5.904 15.702 1.00 0.00 H new ATOM 0 HD12 LEU B 64 -26.124 -4.514 15.573 1.00 0.00 H new ATOM 0 HD13 LEU B 64 -27.504 -4.454 16.696 1.00 0.00 H new ATOM 0 HD21 LEU B 64 -29.507 -5.778 14.767 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -29.873 -4.323 15.724 1.00 0.00 H new ATOM 0 HD23 LEU B 64 -30.067 -4.297 13.955 1.00 0.00 H new ATOM 1066 N VAL B 65 -28.031 0.358 13.797 1.00 0.00 N ATOM 1067 CA VAL B 65 -28.343 1.742 14.136 1.00 0.00 C ATOM 1068 C VAL B 65 -29.419 2.304 13.214 1.00 0.00 C ATOM 1069 O VAL B 65 -30.393 2.903 13.673 1.00 0.00 O ATOM 1070 CB VAL B 65 -27.091 2.636 14.050 1.00 0.00 C ATOM 1071 CG1 VAL B 65 -27.448 4.083 14.352 1.00 0.00 C ATOM 1072 CG2 VAL B 65 -26.013 2.134 14.999 1.00 0.00 C ATOM 0 H VAL B 65 -27.049 0.188 13.579 1.00 0.00 H new ATOM 0 HA VAL B 65 -28.711 1.742 15.162 1.00 0.00 H new ATOM 0 HB VAL B 65 -26.699 2.588 13.034 1.00 0.00 H new ATOM 0 HG11 VAL B 65 -26.552 4.700 14.287 1.00 0.00 H new ATOM 0 HG12 VAL B 65 -28.184 4.435 13.629 1.00 0.00 H new ATOM 0 HG13 VAL B 65 -27.864 4.153 15.357 1.00 0.00 H new ATOM 0 HG21 VAL B 65 -25.136 2.777 14.926 1.00 0.00 H new ATOM 0 HG22 VAL B 65 -26.391 2.151 16.021 1.00 0.00 H new ATOM 0 HG23 VAL B 65 -25.739 1.114 14.731 1.00 0.00 H new ATOM 1082 N ILE B 66 -29.238 2.106 11.913 1.00 0.00 N ATOM 1083 CA ILE B 66 -30.195 2.592 10.927 1.00 0.00 C ATOM 1084 C ILE B 66 -31.555 1.925 11.105 1.00 0.00 C ATOM 1085 O ILE B 66 -32.570 2.597 11.287 1.00 0.00 O ATOM 1086 CB ILE B 66 -29.698 2.345 9.490 1.00 0.00 C ATOM 1087 CG1 ILE B 66 -28.320 2.977 9.288 1.00 0.00 C ATOM 1088 CG2 ILE B 66 -30.695 2.898 8.482 1.00 0.00 C ATOM 1089 CD1 ILE B 66 -27.246 1.980 8.915 1.00 0.00 C ATOM 0 H ILE B 66 -28.438 1.613 11.517 1.00 0.00 H new ATOM 0 HA ILE B 66 -30.296 3.665 11.088 1.00 0.00 H new ATOM 0 HB ILE B 66 -29.610 1.270 9.331 1.00 0.00 H new ATOM 0 HG12 ILE B 66 -28.388 3.735 8.507 1.00 0.00 H new ATOM 0 HG13 ILE B 66 -28.026 3.489 10.204 1.00 0.00 H new ATOM 0 HG21 ILE B 66 -30.330 2.716 7.471 1.00 0.00 H new ATOM 0 HG22 ILE B 66 -31.658 2.404 8.614 1.00 0.00 H new ATOM 0 HG23 ILE B 66 -30.813 3.970 8.637 1.00 0.00 H new ATOM 0 HD11 ILE B 66 -26.296 2.499 8.788 1.00 0.00 H new ATOM 0 HD12 ILE B 66 -27.150 1.236 9.706 1.00 0.00 H new ATOM 0 HD13 ILE B 66 -27.517 1.485 7.982 1.00 0.00 H new ATOM 1101 N VAL B 67 -31.567 0.597 11.052 1.00 0.00 N ATOM 1102 CA VAL B 67 -32.802 -0.163 11.210 1.00 0.00 C ATOM 1103 C VAL B 67 -33.523 0.221 12.497 1.00 0.00 C ATOM 1104 O VAL B 67 -34.700 0.578 12.479 1.00 0.00 O ATOM 1105 CB VAL B 67 -32.530 -1.679 11.220 1.00 0.00 C ATOM 1106 CG1 VAL B 67 -33.838 -2.456 11.241 1.00 0.00 C ATOM 1107 CG2 VAL B 67 -31.684 -2.076 10.020 1.00 0.00 C ATOM 0 H VAL B 67 -30.736 0.025 10.901 1.00 0.00 H new ATOM 0 HA VAL B 67 -33.435 0.080 10.356 1.00 0.00 H new ATOM 0 HB VAL B 67 -31.974 -1.925 12.125 1.00 0.00 H new ATOM 0 HG11 VAL B 67 -33.626 -3.525 11.248 1.00 0.00 H new ATOM 0 HG12 VAL B 67 -34.403 -2.192 12.135 1.00 0.00 H new ATOM 0 HG13 VAL B 67 -34.423 -2.208 10.355 1.00 0.00 H new ATOM 0 HG21 VAL B 67 -31.501 -3.150 10.043 1.00 0.00 H new ATOM 0 HG22 VAL B 67 -32.211 -1.817 9.102 1.00 0.00 H new ATOM 0 HG23 VAL B 67 -30.732 -1.545 10.054 1.00 0.00 H new