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 74:sc= 1.28 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 146:sc= 0.0047 (180deg=-0.0438) USER MOD ----------------------------------------------------------------- ATOM 141 N PRO A 51 -12.013 -9.960 2.130 1.00 0.00 N ATOM 142 CA PRO A 51 -12.563 -10.289 3.449 1.00 0.00 C ATOM 143 C PRO A 51 -13.222 -9.087 4.118 1.00 0.00 C ATOM 144 O PRO A 51 -14.289 -9.208 4.723 1.00 0.00 O ATOM 145 CB PRO A 51 -11.335 -10.736 4.245 1.00 0.00 C ATOM 146 CG PRO A 51 -10.186 -10.056 3.583 1.00 0.00 C ATOM 147 CD PRO A 51 -10.541 -9.970 2.124 1.00 0.00 C ATOM 0 HA PRO A 51 -13.346 -11.045 3.387 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.416 -10.447 5.293 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.221 -11.820 4.221 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -10.024 -9.064 4.004 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.264 -10.618 3.728 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.135 -9.069 1.664 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.147 -10.818 1.564 1.00 0.00 H new ATOM 155 N LEU A 52 -12.582 -7.928 4.005 1.00 0.00 N ATOM 156 CA LEU A 52 -13.107 -6.704 4.599 1.00 0.00 C ATOM 157 C LEU A 52 -14.550 -6.464 4.167 1.00 0.00 C ATOM 158 O LEU A 52 -15.473 -6.550 4.977 1.00 0.00 O ATOM 159 CB LEU A 52 -12.239 -5.508 4.202 1.00 0.00 C ATOM 160 CG LEU A 52 -12.691 -4.146 4.729 1.00 0.00 C ATOM 161 CD1 LEU A 52 -12.638 -4.117 6.248 1.00 0.00 C ATOM 162 CD2 LEU A 52 -11.832 -3.035 4.142 1.00 0.00 C ATOM 0 H LEU A 52 -11.699 -7.811 3.508 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.086 -6.818 5.683 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.223 -5.691 4.550 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.199 -5.459 3.114 1.00 0.00 H new ATOM 0 HG LEU A 52 -13.723 -3.982 4.419 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -12.963 -3.140 6.605 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -13.296 -4.887 6.650 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.617 -4.303 6.580 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.168 -2.073 4.528 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.790 -3.194 4.421 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.921 -3.041 3.056 1.00 0.00 H new ATOM 174 N ILE A 53 -14.737 -6.165 2.886 1.00 0.00 N ATOM 175 CA ILE A 53 -16.068 -5.916 2.346 1.00 0.00 C ATOM 176 C ILE A 53 -16.999 -7.094 2.615 1.00 0.00 C ATOM 177 O ILE A 53 -18.137 -6.912 3.046 1.00 0.00 O ATOM 178 CB ILE A 53 -16.020 -5.650 0.830 1.00 0.00 C ATOM 179 CG1 ILE A 53 -15.031 -4.525 0.519 1.00 0.00 C ATOM 180 CG2 ILE A 53 -17.407 -5.304 0.309 1.00 0.00 C ATOM 181 CD1 ILE A 53 -14.936 -4.194 -0.954 1.00 0.00 C ATOM 0 H ILE A 53 -13.984 -6.089 2.203 1.00 0.00 H new ATOM 0 HA ILE A 53 -16.452 -5.029 2.850 1.00 0.00 H new ATOM 0 HB ILE A 53 -15.680 -6.555 0.327 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -15.328 -3.630 1.066 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -14.044 -4.809 0.884 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -17.357 -5.119 -0.764 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -18.086 -6.134 0.502 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -17.773 -4.411 0.815 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -14.217 -3.388 -1.100 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -14.610 -5.076 -1.505 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -15.913 -3.879 -1.320 1.00 0.00 H new ATOM 193 N ALA A 54 -16.506 -8.301 2.359 1.00 0.00 N ATOM 194 CA ALA A 54 -17.292 -9.509 2.577 1.00 0.00 C ATOM 195 C ALA A 54 -17.882 -9.534 3.983 1.00 0.00 C ATOM 196 O ALA A 54 -19.101 -9.548 4.155 1.00 0.00 O ATOM 197 CB ALA A 54 -16.437 -10.745 2.340 1.00 0.00 C ATOM 0 H ALA A 54 -15.566 -8.468 2.000 1.00 0.00 H new ATOM 0 HA ALA A 54 -18.117 -9.509 1.865 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.037 -11.640 2.506 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -16.068 -10.741 1.314 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -15.593 -10.741 3.029 1.00 0.00 H new ATOM 203 N ALA A 55 -17.010 -9.540 4.986 1.00 0.00 N ATOM 204 CA ALA A 55 -17.445 -9.562 6.377 1.00 0.00 C ATOM 205 C ALA A 55 -18.461 -8.459 6.651 1.00 0.00 C ATOM 206 O ALA A 55 -19.378 -8.631 7.454 1.00 0.00 O ATOM 207 CB ALA A 55 -16.249 -9.424 7.306 1.00 0.00 C ATOM 0 H ALA A 55 -15.998 -9.530 4.861 1.00 0.00 H new ATOM 0 HA ALA A 55 -17.929 -10.520 6.566 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.589 -9.442 8.342 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -15.559 -10.250 7.136 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.741 -8.480 7.107 1.00 0.00 H new ATOM 213 N GLY A 56 -18.292 -7.324 5.980 1.00 0.00 N ATOM 214 CA GLY A 56 -19.201 -6.208 6.166 1.00 0.00 C ATOM 215 C GLY A 56 -20.635 -6.566 5.828 1.00 0.00 C ATOM 216 O GLY A 56 -21.530 -6.430 6.662 1.00 0.00 O ATOM 0 H GLY A 56 -17.541 -7.157 5.310 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -19.149 -5.869 7.201 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.881 -5.374 5.541 1.00 0.00 H new ATOM 220 N VAL A 57 -20.855 -7.025 4.600 1.00 0.00 N ATOM 221 CA VAL A 57 -22.190 -7.403 4.152 1.00 0.00 C ATOM 222 C VAL A 57 -22.724 -8.584 4.954 1.00 0.00 C ATOM 223 O VAL A 57 -23.917 -8.656 5.252 1.00 0.00 O ATOM 224 CB VAL A 57 -22.198 -7.766 2.655 1.00 0.00 C ATOM 225 CG1 VAL A 57 -23.623 -7.968 2.163 1.00 0.00 C ATOM 226 CG2 VAL A 57 -21.491 -6.692 1.843 1.00 0.00 C ATOM 0 H VAL A 57 -20.125 -7.144 3.897 1.00 0.00 H new ATOM 0 HA VAL A 57 -22.835 -6.539 4.311 1.00 0.00 H new ATOM 0 HB VAL A 57 -21.657 -8.703 2.522 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -23.609 -8.224 1.104 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -24.091 -8.776 2.725 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -24.191 -7.049 2.307 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -21.506 -6.965 0.788 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -22.001 -5.738 1.979 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -20.458 -6.602 2.180 1.00 0.00 H new ATOM 236 N ILE A 58 -21.834 -9.508 5.300 1.00 0.00 N ATOM 237 CA ILE A 58 -22.216 -10.686 6.069 1.00 0.00 C ATOM 238 C ILE A 58 -22.679 -10.301 7.470 1.00 0.00 C ATOM 239 O ILE A 58 -23.720 -10.759 7.939 1.00 0.00 O ATOM 240 CB ILE A 58 -21.050 -11.686 6.183 1.00 0.00 C ATOM 241 CG1 ILE A 58 -20.679 -12.229 4.801 1.00 0.00 C ATOM 242 CG2 ILE A 58 -21.418 -12.824 7.124 1.00 0.00 C ATOM 243 CD1 ILE A 58 -19.465 -13.131 4.813 1.00 0.00 C ATOM 0 H ILE A 58 -20.844 -9.464 5.060 1.00 0.00 H new ATOM 0 HA ILE A 58 -23.039 -11.159 5.534 1.00 0.00 H new ATOM 0 HB ILE A 58 -20.184 -11.167 6.594 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -21.528 -12.781 4.396 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -20.493 -11.392 4.128 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -20.584 -13.522 7.194 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -21.639 -12.422 8.113 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -22.295 -13.344 6.740 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -19.260 -13.479 3.801 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -18.604 -12.577 5.188 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -19.655 -13.988 5.460 1.00 0.00 H new ATOM 255 N GLY A 59 -21.899 -9.454 8.134 1.00 0.00 N ATOM 256 CA GLY A 59 -22.246 -9.020 9.475 1.00 0.00 C ATOM 257 C GLY A 59 -23.611 -8.363 9.536 1.00 0.00 C ATOM 258 O GLY A 59 -24.455 -8.743 10.346 1.00 0.00 O ATOM 0 H GLY A 59 -21.032 -9.060 7.767 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -22.229 -9.878 10.147 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -21.492 -8.319 9.833 1.00 0.00 H new ATOM 262 N GLY A 60 -23.829 -7.372 8.676 1.00 0.00 N ATOM 263 CA GLY A 60 -25.102 -6.676 8.654 1.00 0.00 C ATOM 264 C GLY A 60 -26.270 -7.612 8.417 1.00 0.00 C ATOM 265 O GLY A 60 -27.313 -7.492 9.062 1.00 0.00 O ATOM 0 H GLY A 60 -23.147 -7.039 7.995 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -25.244 -6.155 9.601 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -25.084 -5.917 7.872 1.00 0.00 H new ATOM 269 N LEU A 61 -26.099 -8.547 7.488 1.00 0.00 N ATOM 270 CA LEU A 61 -27.149 -9.507 7.166 1.00 0.00 C ATOM 271 C LEU A 61 -27.382 -10.469 8.326 1.00 0.00 C ATOM 272 O LEU A 61 -28.488 -10.559 8.859 1.00 0.00 O ATOM 273 CB LEU A 61 -26.781 -10.290 5.905 1.00 0.00 C ATOM 274 CG LEU A 61 -26.926 -9.539 4.581 1.00 0.00 C ATOM 275 CD1 LEU A 61 -26.339 -10.352 3.438 1.00 0.00 C ATOM 276 CD2 LEU A 61 -28.388 -9.213 4.310 1.00 0.00 C ATOM 0 H LEU A 61 -25.243 -8.660 6.945 1.00 0.00 H new ATOM 0 HA LEU A 61 -28.071 -8.954 6.987 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -25.748 -10.625 5.998 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -27.403 -11.184 5.862 1.00 0.00 H new ATOM 0 HG LEU A 61 -26.373 -8.603 4.655 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -26.452 -9.801 2.504 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -25.281 -10.534 3.627 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -26.863 -11.305 3.363 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -28.472 -8.679 3.364 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -28.963 -10.137 4.257 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -28.777 -8.589 5.115 1.00 0.00 H new ATOM 288 N PHE A 62 -26.332 -11.185 8.715 1.00 0.00 N ATOM 289 CA PHE A 62 -26.421 -12.139 9.813 1.00 0.00 C ATOM 290 C PHE A 62 -27.037 -11.490 11.049 1.00 0.00 C ATOM 291 O PHE A 62 -28.028 -11.979 11.592 1.00 0.00 O ATOM 292 CB PHE A 62 -25.035 -12.693 10.150 1.00 0.00 C ATOM 293 CG PHE A 62 -25.052 -13.728 11.239 1.00 0.00 C ATOM 294 CD1 PHE A 62 -26.010 -14.728 11.247 1.00 0.00 C ATOM 295 CD2 PHE A 62 -24.109 -13.700 12.254 1.00 0.00 C ATOM 296 CE1 PHE A 62 -26.028 -15.682 12.247 1.00 0.00 C ATOM 297 CE2 PHE A 62 -24.121 -14.651 13.256 1.00 0.00 C ATOM 298 CZ PHE A 62 -25.083 -15.643 13.253 1.00 0.00 C ATOM 0 H PHE A 62 -25.409 -11.122 8.285 1.00 0.00 H new ATOM 0 HA PHE A 62 -27.065 -12.960 9.497 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -24.599 -13.129 9.252 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -24.387 -11.870 10.452 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -26.752 -14.763 10.463 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -23.356 -12.926 12.262 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -26.780 -16.457 12.242 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -23.380 -14.619 14.041 1.00 0.00 H new ATOM 0 HZ PHE A 62 -25.096 -16.387 14.036 1.00 0.00 H new ATOM 308 N ILE A 63 -26.441 -10.386 11.488 1.00 0.00 N ATOM 309 CA ILE A 63 -26.930 -9.669 12.660 1.00 0.00 C ATOM 310 C ILE A 63 -28.417 -9.356 12.531 1.00 0.00 C ATOM 311 O ILE A 63 -29.181 -9.517 13.484 1.00 0.00 O ATOM 312 CB ILE A 63 -26.157 -8.355 12.879 1.00 0.00 C ATOM 313 CG1 ILE A 63 -24.708 -8.650 13.270 1.00 0.00 C ATOM 314 CG2 ILE A 63 -26.839 -7.511 13.945 1.00 0.00 C ATOM 315 CD1 ILE A 63 -24.569 -9.297 14.631 1.00 0.00 C ATOM 0 H ILE A 63 -25.620 -9.969 11.050 1.00 0.00 H new ATOM 0 HA ILE A 63 -26.771 -10.321 13.519 1.00 0.00 H new ATOM 0 HB ILE A 63 -26.154 -7.792 11.946 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -24.263 -9.303 12.519 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -24.141 -7.719 13.259 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -26.281 -6.586 14.089 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -27.855 -7.277 13.628 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -26.870 -8.065 14.883 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -23.515 -9.477 14.842 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -24.984 -8.636 15.392 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -25.108 -10.244 14.640 1.00 0.00 H new ATOM 327 N LEU A 64 -28.822 -8.909 11.348 1.00 0.00 N ATOM 328 CA LEU A 64 -30.219 -8.575 11.093 1.00 0.00 C ATOM 329 C LEU A 64 -31.093 -9.825 11.126 1.00 0.00 C ATOM 330 O LEU A 64 -32.240 -9.782 11.571 1.00 0.00 O ATOM 331 CB LEU A 64 -30.358 -7.877 9.739 1.00 0.00 C ATOM 332 CG LEU A 64 -29.915 -6.414 9.690 1.00 0.00 C ATOM 333 CD1 LEU A 64 -29.773 -5.948 8.249 1.00 0.00 C ATOM 334 CD2 LEU A 64 -30.900 -5.532 10.443 1.00 0.00 C ATOM 0 H LEU A 64 -28.203 -8.769 10.550 1.00 0.00 H new ATOM 0 HA LEU A 64 -30.555 -7.899 11.879 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -29.779 -8.436 9.003 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -31.402 -7.930 9.431 1.00 0.00 H new ATOM 0 HG LEU A 64 -28.942 -6.333 10.175 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -29.457 -4.905 8.233 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -29.028 -6.560 7.740 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -30.732 -6.044 7.739 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -30.568 -4.495 10.397 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -31.887 -5.618 9.988 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -30.952 -5.851 11.484 1.00 0.00 H new ATOM 346 N VAL A 65 -30.542 -10.938 10.653 1.00 0.00 N ATOM 347 CA VAL A 65 -31.269 -12.201 10.631 1.00 0.00 C ATOM 348 C VAL A 65 -31.705 -12.609 12.033 1.00 0.00 C ATOM 349 O VAL A 65 -32.852 -13.003 12.248 1.00 0.00 O ATOM 350 CB VAL A 65 -30.416 -13.330 10.021 1.00 0.00 C ATOM 351 CG1 VAL A 65 -31.162 -14.654 10.079 1.00 0.00 C ATOM 352 CG2 VAL A 65 -30.027 -12.990 8.591 1.00 0.00 C ATOM 0 H VAL A 65 -29.594 -10.990 10.280 1.00 0.00 H new ATOM 0 HA VAL A 65 -32.151 -12.047 10.010 1.00 0.00 H new ATOM 0 HB VAL A 65 -29.503 -13.429 10.608 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -30.544 -15.439 9.644 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -31.385 -14.901 11.117 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -32.093 -14.572 9.518 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -29.425 -13.798 8.176 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -30.927 -12.862 7.990 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -29.450 -12.065 8.581 1.00 0.00 H new ATOM 362 N ILE A 66 -30.783 -12.512 12.985 1.00 0.00 N ATOM 363 CA ILE A 66 -31.073 -12.870 14.368 1.00 0.00 C ATOM 364 C ILE A 66 -32.090 -11.913 14.982 1.00 0.00 C ATOM 365 O ILE A 66 -33.144 -12.334 15.459 1.00 0.00 O ATOM 366 CB ILE A 66 -29.796 -12.866 15.230 1.00 0.00 C ATOM 367 CG1 ILE A 66 -28.725 -13.757 14.598 1.00 0.00 C ATOM 368 CG2 ILE A 66 -30.111 -13.328 16.644 1.00 0.00 C ATOM 369 CD1 ILE A 66 -27.457 -13.015 14.238 1.00 0.00 C ATOM 0 H ILE A 66 -29.829 -12.189 12.824 1.00 0.00 H new ATOM 0 HA ILE A 66 -31.489 -13.878 14.353 1.00 0.00 H new ATOM 0 HB ILE A 66 -29.411 -11.847 15.279 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -28.481 -14.563 15.289 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -29.133 -14.220 13.700 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -29.199 -13.320 17.241 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -30.844 -12.656 17.091 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -30.516 -14.339 16.615 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -26.743 -13.709 13.795 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -27.688 -12.226 13.522 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -27.025 -12.575 15.137 1.00 0.00 H new ATOM 381 N VAL A 67 -31.767 -10.624 14.964 1.00 0.00 N ATOM 382 CA VAL A 67 -32.653 -9.606 15.516 1.00 0.00 C ATOM 383 C VAL A 67 -34.046 -9.699 14.902 1.00 0.00 C ATOM 384 O VAL A 67 -35.044 -9.798 15.614 1.00 0.00 O ATOM 385 CB VAL A 67 -32.095 -8.190 15.283 1.00 0.00 C ATOM 386 CG1 VAL A 67 -32.953 -7.154 15.994 1.00 0.00 C ATOM 387 CG2 VAL A 67 -30.649 -8.105 15.745 1.00 0.00 C ATOM 0 H VAL A 67 -30.898 -10.260 14.573 1.00 0.00 H new ATOM 0 HA VAL A 67 -32.718 -9.791 16.588 1.00 0.00 H new ATOM 0 HB VAL A 67 -32.124 -7.978 14.214 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -32.543 -6.159 15.818 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -33.972 -7.200 15.610 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -32.959 -7.360 17.064 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -30.271 -7.097 15.573 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -30.593 -8.337 16.809 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -30.046 -8.820 15.185 1.00 0.00 H new ATOM 397 N GLY A 68 -34.105 -9.668 13.574 1.00 0.00 N ATOM 398 CA GLY A 68 -35.380 -9.750 12.886 1.00 0.00 C ATOM 399 C GLY A 68 -36.210 -10.934 13.342 1.00 0.00 C ATOM 400 O GLY A 68 -37.346 -10.770 13.788 1.00 0.00 O ATOM 0 H GLY A 68 -33.293 -9.588 12.963 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -35.940 -8.831 13.055 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -35.206 -9.824 11.813 1.00 0.00 H new ATOM 404 N LEU A 69 -35.643 -12.130 13.230 1.00 0.00 N ATOM 405 CA LEU A 69 -36.339 -13.347 13.633 1.00 0.00 C ATOM 406 C LEU A 69 -36.729 -13.289 15.106 1.00 0.00 C ATOM 407 O LEU A 69 -37.851 -13.637 15.478 1.00 0.00 O ATOM 408 CB LEU A 69 -35.458 -14.571 13.375 1.00 0.00 C ATOM 409 CG LEU A 69 -35.332 -15.012 11.916 1.00 0.00 C ATOM 410 CD1 LEU A 69 -34.424 -16.226 11.802 1.00 0.00 C ATOM 411 CD2 LEU A 69 -36.704 -15.313 11.331 1.00 0.00 C ATOM 0 H LEU A 69 -34.703 -12.283 12.864 1.00 0.00 H new ATOM 0 HA LEU A 69 -37.249 -13.430 13.038 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -34.459 -14.362 13.758 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -35.853 -15.406 13.953 1.00 0.00 H new ATOM 0 HG LEU A 69 -34.886 -14.196 11.346 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -34.346 -16.525 10.757 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -33.434 -15.977 12.183 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -34.840 -17.048 12.385 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -36.596 -15.625 10.292 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -37.176 -16.112 11.903 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -37.324 -14.418 11.378 1.00 0.00 H new ATOM 423 N THR A 70 -35.796 -12.845 15.943 1.00 0.00 N ATOM 424 CA THR A 70 -36.042 -12.740 17.376 1.00 0.00 C ATOM 425 C THR A 70 -37.327 -11.969 17.658 1.00 0.00 C ATOM 426 O THR A 70 -38.060 -12.287 18.595 1.00 0.00 O ATOM 427 CB THR A 70 -34.872 -12.046 18.098 1.00 0.00 C ATOM 428 OG1 THR A 70 -33.700 -12.866 18.031 1.00 0.00 O ATOM 429 CG2 THR A 70 -35.221 -11.769 19.552 1.00 0.00 C ATOM 0 H THR A 70 -34.863 -12.552 15.653 1.00 0.00 H new ATOM 0 HA THR A 70 -36.141 -13.757 17.755 1.00 0.00 H new ATOM 0 HB THR A 70 -34.679 -11.096 17.600 1.00 0.00 H new ATOM 0 HG1 THR A 70 -33.327 -12.830 17.126 1.00 0.00 H new ATOM 0 HG21 THR A 70 -34.379 -11.279 20.041 1.00 0.00 H new ATOM 0 HG22 THR A 70 -36.096 -11.121 19.599 1.00 0.00 H new ATOM 0 HG23 THR A 70 -35.438 -12.709 20.059 1.00 0.00 H new ATOM 437 N PHE A 71 -37.595 -10.955 16.842 1.00 0.00 N ATOM 438 CA PHE A 71 -38.792 -10.139 17.004 1.00 0.00 C ATOM 439 C PHE A 71 -40.037 -10.906 16.568 1.00 0.00 C ATOM 440 O PHE A 71 -41.044 -10.928 17.274 1.00 0.00 O ATOM 441 CB PHE A 71 -38.666 -8.845 16.196 1.00 0.00 C ATOM 442 CG PHE A 71 -39.922 -8.022 16.183 1.00 0.00 C ATOM 443 CD1 PHE A 71 -40.425 -7.482 17.356 1.00 0.00 C ATOM 444 CD2 PHE A 71 -40.601 -7.788 14.998 1.00 0.00 C ATOM 445 CE1 PHE A 71 -41.581 -6.725 17.347 1.00 0.00 C ATOM 446 CE2 PHE A 71 -41.757 -7.032 14.982 1.00 0.00 C ATOM 447 CZ PHE A 71 -42.247 -6.498 16.158 1.00 0.00 C ATOM 0 H PHE A 71 -36.999 -10.679 16.062 1.00 0.00 H new ATOM 0 HA PHE A 71 -38.892 -9.891 18.061 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -37.853 -8.247 16.608 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -38.392 -9.092 15.170 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -39.907 -7.655 18.288 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -40.222 -8.202 14.075 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -41.963 -6.311 18.268 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -42.277 -6.859 14.051 1.00 0.00 H new ATOM 0 HZ PHE A 71 -43.149 -5.904 16.148 1.00 0.00 H new ATOM 457 N ALA A 72 -39.958 -11.532 15.398 1.00 0.00 N ATOM 458 CA ALA A 72 -41.077 -12.301 14.867 1.00 0.00 C ATOM 459 C ALA A 72 -41.370 -13.517 15.738 1.00 0.00 C ATOM 460 O ALA A 72 -42.487 -14.035 15.745 1.00 0.00 O ATOM 461 CB ALA A 72 -40.790 -12.731 13.436 1.00 0.00 C ATOM 0 H ALA A 72 -39.131 -11.522 14.800 1.00 0.00 H new ATOM 0 HA ALA A 72 -41.960 -11.662 14.873 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -41.634 -13.304 13.052 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -40.638 -11.849 12.814 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -39.892 -13.349 13.415 1.00 0.00 H new ATOM 467 N VAL A 73 -40.358 -13.971 16.472 1.00 0.00 N ATOM 468 CA VAL A 73 -40.507 -15.127 17.348 1.00 0.00 C ATOM 469 C VAL A 73 -41.097 -14.724 18.695 1.00 0.00 C ATOM 470 O VAL A 73 -42.018 -15.368 19.199 1.00 0.00 O ATOM 471 CB VAL A 73 -39.158 -15.832 17.581 1.00 0.00 C ATOM 472 CG1 VAL A 73 -39.319 -16.981 18.565 1.00 0.00 C ATOM 473 CG2 VAL A 73 -38.580 -16.324 16.263 1.00 0.00 C ATOM 0 H VAL A 73 -39.426 -13.556 16.477 1.00 0.00 H new ATOM 0 HA VAL A 73 -41.187 -15.817 16.849 1.00 0.00 H new ATOM 0 HB VAL A 73 -38.461 -15.113 18.011 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -38.355 -17.467 18.717 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -39.686 -16.596 19.517 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -40.031 -17.704 18.167 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -37.627 -16.820 16.446 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -39.273 -17.028 15.802 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -38.426 -15.477 15.595 1.00 0.00 H new ATOM 483 N TYR A 74 -40.562 -13.654 19.272 1.00 0.00 N ATOM 484 CA TYR A 74 -41.034 -13.165 20.562 1.00 0.00 C ATOM 485 C TYR A 74 -42.525 -12.846 20.512 1.00 0.00 C ATOM 486 O TYR A 74 -43.271 -13.161 21.439 1.00 0.00 O ATOM 487 CB TYR A 74 -40.249 -11.920 20.978 1.00 0.00 C ATOM 488 CG TYR A 74 -40.413 -11.560 22.437 1.00 0.00 C ATOM 489 CD1 TYR A 74 -39.630 -12.161 23.414 1.00 0.00 C ATOM 490 CD2 TYR A 74 -41.351 -10.616 22.839 1.00 0.00 C ATOM 491 CE1 TYR A 74 -39.777 -11.835 24.748 1.00 0.00 C ATOM 492 CE2 TYR A 74 -41.504 -10.283 24.171 1.00 0.00 C ATOM 493 CZ TYR A 74 -40.715 -10.896 25.122 1.00 0.00 C ATOM 494 OH TYR A 74 -40.864 -10.568 26.450 1.00 0.00 O ATOM 0 H TYR A 74 -39.801 -13.109 18.867 1.00 0.00 H new ATOM 0 HA TYR A 74 -40.874 -13.951 21.300 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -39.191 -12.081 20.769 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -40.570 -11.077 20.366 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -38.893 -12.896 23.126 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -41.971 -10.135 22.097 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -39.160 -12.313 25.495 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -42.237 -9.547 24.466 1.00 0.00 H new ATOM 0 HH TYR A 74 -41.566 -9.890 26.543 1.00 0.00 H new ATOM 504 N VAL A 75 -42.953 -12.220 19.420 1.00 0.00 N ATOM 505 CA VAL A 75 -44.355 -11.859 19.246 1.00 0.00 C ATOM 506 C VAL A 75 -45.230 -13.101 19.114 1.00 0.00 C ATOM 507 O VAL A 75 -46.272 -13.209 19.760 1.00 0.00 O ATOM 508 CB VAL A 75 -44.555 -10.970 18.004 1.00 0.00 C ATOM 509 CG1 VAL A 75 -46.034 -10.698 17.775 1.00 0.00 C ATOM 510 CG2 VAL A 75 -43.781 -9.669 18.151 1.00 0.00 C ATOM 0 H VAL A 75 -42.349 -11.952 18.643 1.00 0.00 H new ATOM 0 HA VAL A 75 -44.651 -11.302 20.135 1.00 0.00 H new ATOM 0 HB VAL A 75 -44.169 -11.499 17.133 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -46.156 -10.069 16.894 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -46.558 -11.641 17.622 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -46.449 -10.189 18.645 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -43.933 -9.053 17.265 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -44.135 -9.132 19.031 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -42.719 -9.888 18.262 1.00 0.00 H new ATOM 520 N ARG A 76 -44.798 -14.036 18.274 1.00 0.00 N ATOM 521 CA ARG A 76 -45.542 -15.271 18.058 1.00 0.00 C ATOM 522 C ARG A 76 -45.829 -15.972 19.382 1.00 0.00 C ATOM 523 O ARG A 76 -46.884 -16.581 19.558 1.00 0.00 O ATOM 524 CB ARG A 76 -44.762 -16.206 17.132 1.00 0.00 C ATOM 525 CG ARG A 76 -44.794 -15.783 15.672 1.00 0.00 C ATOM 526 CD ARG A 76 -45.732 -16.660 14.858 1.00 0.00 C ATOM 527 NE ARG A 76 -46.299 -15.945 13.718 1.00 0.00 N ATOM 528 CZ ARG A 76 -47.218 -16.461 12.910 1.00 0.00 C ATOM 529 NH1 ARG A 76 -47.672 -17.690 13.116 1.00 0.00 N ATOM 530 NH2 ARG A 76 -47.686 -15.748 11.894 1.00 0.00 N ATOM 0 H ARG A 76 -43.937 -13.962 17.732 1.00 0.00 H new ATOM 0 HA ARG A 76 -46.492 -15.016 17.589 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -43.725 -16.252 17.466 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -45.170 -17.213 17.219 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -45.113 -14.743 15.600 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -43.789 -15.838 15.254 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -45.191 -17.537 14.503 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -46.538 -17.020 15.498 1.00 0.00 H new ATOM 0 HE ARG A 76 -45.971 -14.997 13.532 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -47.315 -18.241 13.897 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -48.378 -18.084 12.494 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -47.340 -14.802 11.733 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -48.392 -16.146 11.274 1.00 0.00 H new ATOM 544 N ARG A 77 -44.881 -15.883 20.310 1.00 0.00 N ATOM 545 CA ARG A 77 -45.031 -16.511 21.618 1.00 0.00 C ATOM 546 C ARG A 77 -46.293 -16.013 22.318 1.00 0.00 C ATOM 547 O ARG A 77 -46.829 -16.680 23.203 1.00 0.00 O ATOM 548 CB ARG A 77 -43.806 -16.225 22.488 1.00 0.00 C ATOM 549 CG ARG A 77 -42.529 -16.865 21.970 1.00 0.00 C ATOM 550 CD ARG A 77 -42.300 -18.235 22.591 1.00 0.00 C ATOM 551 NE ARG A 77 -43.459 -19.109 22.428 1.00 0.00 N ATOM 552 CZ ARG A 77 -43.719 -19.785 21.315 1.00 0.00 C ATOM 553 NH1 ARG A 77 -42.907 -19.688 20.271 1.00 0.00 N ATOM 554 NH2 ARG A 77 -44.793 -20.560 21.244 1.00 0.00 N ATOM 0 H ARG A 77 -44.002 -15.383 20.181 1.00 0.00 H new ATOM 0 HA ARG A 77 -45.119 -17.587 21.469 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -43.661 -15.147 22.554 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -43.998 -16.583 23.500 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -42.583 -16.960 20.886 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -41.681 -16.218 22.192 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -41.428 -18.700 22.132 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -42.079 -18.120 23.652 1.00 0.00 H new ATOM 0 HE ARG A 77 -44.104 -19.205 23.212 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -42.080 -19.093 20.322 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -43.109 -20.208 19.417 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -45.420 -20.637 22.045 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -44.992 -21.079 20.389 1.00 0.00 H new ATOM 568 N LYS A 78 -46.762 -14.837 21.916 1.00 0.00 N ATOM 569 CA LYS A 78 -47.960 -14.250 22.503 1.00 0.00 C ATOM 570 C LYS A 78 -49.219 -14.823 21.859 1.00 0.00 C ATOM 571 O LYS A 78 -50.245 -14.988 22.518 1.00 0.00 O ATOM 572 CB LYS A 78 -47.939 -12.728 22.340 1.00 0.00 C ATOM 573 CG LYS A 78 -47.913 -11.976 23.660 1.00 0.00 C ATOM 574 CD LYS A 78 -47.444 -10.542 23.475 1.00 0.00 C ATOM 575 CE LYS A 78 -46.282 -10.213 24.399 1.00 0.00 C ATOM 576 NZ LYS A 78 -45.049 -10.963 24.029 1.00 0.00 N ATOM 0 H LYS A 78 -46.330 -14.271 21.185 1.00 0.00 H new ATOM 0 HA LYS A 78 -47.972 -14.496 23.565 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -47.065 -12.446 21.753 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -48.817 -12.419 21.773 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -48.909 -11.980 24.102 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -47.252 -12.489 24.359 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -47.142 -10.388 22.439 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -48.271 -9.859 23.671 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -46.081 -9.142 24.362 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -46.557 -10.450 25.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -44.214 -10.375 24.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -44.994 -11.838 24.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -45.078 -11.200 23.017 1.00 0.00 H new ATOM 875 N LEU B 52 -10.948 -7.158 8.697 1.00 0.00 N ATOM 876 CA LEU B 52 -11.982 -8.184 8.617 1.00 0.00 C ATOM 877 C LEU B 52 -12.906 -8.123 9.829 1.00 0.00 C ATOM 878 O LEU B 52 -14.079 -7.767 9.710 1.00 0.00 O ATOM 879 CB LEU B 52 -11.345 -9.571 8.517 1.00 0.00 C ATOM 880 CG LEU B 52 -12.314 -10.752 8.455 1.00 0.00 C ATOM 881 CD1 LEU B 52 -13.160 -10.683 7.193 1.00 0.00 C ATOM 882 CD2 LEU B 52 -11.555 -12.070 8.519 1.00 0.00 C ATOM 0 HA LEU B 52 -12.575 -7.997 7.722 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -10.716 -9.596 7.628 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -10.689 -9.710 9.376 1.00 0.00 H new ATOM 0 HG LEU B 52 -12.979 -10.697 9.317 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -13.844 -11.532 7.166 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -13.733 -9.756 7.189 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -12.511 -10.712 6.318 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -12.261 -12.899 8.474 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -10.866 -12.134 7.677 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -10.994 -12.122 9.452 1.00 0.00 H new ATOM 894 N ILE B 53 -12.369 -8.469 10.994 1.00 0.00 N ATOM 895 CA ILE B 53 -13.144 -8.450 12.228 1.00 0.00 C ATOM 896 C ILE B 53 -13.757 -7.074 12.471 1.00 0.00 C ATOM 897 O ILE B 53 -14.935 -6.959 12.806 1.00 0.00 O ATOM 898 CB ILE B 53 -12.280 -8.836 13.443 1.00 0.00 C ATOM 899 CG1 ILE B 53 -11.587 -10.178 13.197 1.00 0.00 C ATOM 900 CG2 ILE B 53 -13.131 -8.896 14.702 1.00 0.00 C ATOM 901 CD1 ILE B 53 -10.724 -10.633 14.353 1.00 0.00 C ATOM 0 H ILE B 53 -11.400 -8.766 11.109 1.00 0.00 H new ATOM 0 HA ILE B 53 -13.940 -9.185 12.111 1.00 0.00 H new ATOM 0 HB ILE B 53 -11.514 -8.073 13.583 1.00 0.00 H new ATOM 0 HG12 ILE B 53 -12.343 -10.937 12.998 1.00 0.00 H new ATOM 0 HG13 ILE B 53 -10.970 -10.100 12.302 1.00 0.00 H new ATOM 0 HG21 ILE B 53 -12.505 -9.170 15.551 1.00 0.00 H new ATOM 0 HG22 ILE B 53 -13.582 -7.920 14.883 1.00 0.00 H new ATOM 0 HG23 ILE B 53 -13.917 -9.641 14.575 1.00 0.00 H new ATOM 0 HD11 ILE B 53 -10.264 -11.591 14.109 1.00 0.00 H new ATOM 0 HD12 ILE B 53 -9.945 -9.893 14.539 1.00 0.00 H new ATOM 0 HD13 ILE B 53 -11.340 -10.743 15.246 1.00 0.00 H new ATOM 913 N ALA B 54 -12.949 -6.034 12.297 1.00 0.00 N ATOM 914 CA ALA B 54 -13.412 -4.666 12.493 1.00 0.00 C ATOM 915 C ALA B 54 -14.689 -4.400 11.704 1.00 0.00 C ATOM 916 O ALA B 54 -15.729 -4.079 12.278 1.00 0.00 O ATOM 917 CB ALA B 54 -12.326 -3.678 12.091 1.00 0.00 C ATOM 0 H ALA B 54 -11.970 -6.113 12.021 1.00 0.00 H new ATOM 0 HA ALA B 54 -13.636 -4.533 13.552 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -12.686 -2.660 12.243 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -11.439 -3.844 12.702 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -12.075 -3.821 11.040 1.00 0.00 H new ATOM 923 N ALA B 55 -14.603 -4.536 10.385 1.00 0.00 N ATOM 924 CA ALA B 55 -15.753 -4.311 9.517 1.00 0.00 C ATOM 925 C ALA B 55 -16.964 -5.108 9.993 1.00 0.00 C ATOM 926 O ALA B 55 -18.099 -4.643 9.902 1.00 0.00 O ATOM 927 CB ALA B 55 -15.410 -4.678 8.081 1.00 0.00 C ATOM 0 H ALA B 55 -13.749 -4.801 9.894 1.00 0.00 H new ATOM 0 HA ALA B 55 -16.007 -3.252 9.559 1.00 0.00 H new ATOM 0 HB1 ALA B 55 -16.278 -4.505 7.444 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -14.579 -4.063 7.737 1.00 0.00 H new ATOM 0 HB3 ALA B 55 -15.128 -5.730 8.032 1.00 0.00 H new ATOM 933 N GLY B 56 -16.713 -6.310 10.502 1.00 0.00 N ATOM 934 CA GLY B 56 -17.792 -7.152 10.984 1.00 0.00 C ATOM 935 C GLY B 56 -18.606 -6.483 12.073 1.00 0.00 C ATOM 936 O GLY B 56 -19.822 -6.333 11.947 1.00 0.00 O ATOM 0 H GLY B 56 -15.781 -6.716 10.589 1.00 0.00 H new ATOM 0 HA2 GLY B 56 -18.447 -7.410 10.152 1.00 0.00 H new ATOM 0 HA3 GLY B 56 -17.378 -8.085 11.365 1.00 0.00 H new ATOM 940 N VAL B 57 -17.936 -6.080 13.148 1.00 0.00 N ATOM 941 CA VAL B 57 -18.606 -5.424 14.265 1.00 0.00 C ATOM 942 C VAL B 57 -19.216 -4.095 13.836 1.00 0.00 C ATOM 943 O VAL B 57 -20.296 -3.719 14.293 1.00 0.00 O ATOM 944 CB VAL B 57 -17.634 -5.176 15.435 1.00 0.00 C ATOM 945 CG1 VAL B 57 -18.387 -4.671 16.656 1.00 0.00 C ATOM 946 CG2 VAL B 57 -16.861 -6.444 15.762 1.00 0.00 C ATOM 0 H VAL B 57 -16.930 -6.196 13.269 1.00 0.00 H new ATOM 0 HA VAL B 57 -19.399 -6.094 14.596 1.00 0.00 H new ATOM 0 HB VAL B 57 -16.920 -4.409 15.136 1.00 0.00 H new ATOM 0 HG11 VAL B 57 -17.685 -4.501 17.472 1.00 0.00 H new ATOM 0 HG12 VAL B 57 -18.892 -3.736 16.411 1.00 0.00 H new ATOM 0 HG13 VAL B 57 -19.125 -5.413 16.961 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -16.179 -6.251 16.590 1.00 0.00 H new ATOM 0 HG22 VAL B 57 -17.559 -7.233 16.042 1.00 0.00 H new ATOM 0 HG23 VAL B 57 -16.290 -6.758 14.888 1.00 0.00 H new ATOM 956 N ILE B 58 -18.518 -3.387 12.954 1.00 0.00 N ATOM 957 CA ILE B 58 -18.993 -2.100 12.461 1.00 0.00 C ATOM 958 C ILE B 58 -20.278 -2.259 11.656 1.00 0.00 C ATOM 959 O ILE B 58 -21.236 -1.509 11.842 1.00 0.00 O ATOM 960 CB ILE B 58 -17.933 -1.408 11.583 1.00 0.00 C ATOM 961 CG1 ILE B 58 -16.697 -1.062 12.415 1.00 0.00 C ATOM 962 CG2 ILE B 58 -18.513 -0.157 10.940 1.00 0.00 C ATOM 963 CD1 ILE B 58 -15.560 -0.489 11.598 1.00 0.00 C ATOM 0 H ILE B 58 -17.622 -3.683 12.566 1.00 0.00 H new ATOM 0 HA ILE B 58 -19.190 -1.480 13.336 1.00 0.00 H new ATOM 0 HB ILE B 58 -17.634 -2.095 10.791 1.00 0.00 H new ATOM 0 HG12 ILE B 58 -16.977 -0.344 13.186 1.00 0.00 H new ATOM 0 HG13 ILE B 58 -16.350 -1.960 12.926 1.00 0.00 H new ATOM 0 HG21 ILE B 58 -17.752 0.321 10.323 1.00 0.00 H new ATOM 0 HG22 ILE B 58 -19.366 -0.429 10.319 1.00 0.00 H new ATOM 0 HG23 ILE B 58 -18.837 0.535 11.717 1.00 0.00 H new ATOM 0 HD11 ILE B 58 -14.717 -0.267 12.253 1.00 0.00 H new ATOM 0 HD12 ILE B 58 -15.253 -1.213 10.844 1.00 0.00 H new ATOM 0 HD13 ILE B 58 -15.890 0.427 11.108 1.00 0.00 H new ATOM 975 N GLY B 59 -20.293 -3.243 10.762 1.00 0.00 N ATOM 976 CA GLY B 59 -21.466 -3.485 9.944 1.00 0.00 C ATOM 977 C GLY B 59 -22.701 -3.779 10.773 1.00 0.00 C ATOM 978 O GLY B 59 -23.745 -3.156 10.587 1.00 0.00 O ATOM 0 H GLY B 59 -19.513 -3.877 10.590 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -21.653 -2.614 9.316 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -21.272 -4.324 9.276 1.00 0.00 H new ATOM 982 N GLY B 60 -22.582 -4.734 11.691 1.00 0.00 N ATOM 983 CA GLY B 60 -23.705 -5.094 12.536 1.00 0.00 C ATOM 984 C GLY B 60 -24.235 -3.917 13.330 1.00 0.00 C ATOM 985 O GLY B 60 -25.447 -3.747 13.469 1.00 0.00 O ATOM 0 H GLY B 60 -21.728 -5.264 11.864 1.00 0.00 H new ATOM 0 HA2 GLY B 60 -24.505 -5.501 11.918 1.00 0.00 H new ATOM 0 HA3 GLY B 60 -23.400 -5.884 13.223 1.00 0.00 H new ATOM 989 N LEU B 61 -23.326 -3.102 13.854 1.00 0.00 N ATOM 990 CA LEU B 61 -23.708 -1.934 14.641 1.00 0.00 C ATOM 991 C LEU B 61 -24.367 -0.877 13.760 1.00 0.00 C ATOM 992 O LEU B 61 -25.524 -0.514 13.969 1.00 0.00 O ATOM 993 CB LEU B 61 -22.482 -1.342 15.339 1.00 0.00 C ATOM 994 CG LEU B 61 -21.982 -2.095 16.572 1.00 0.00 C ATOM 995 CD1 LEU B 61 -20.652 -1.528 17.041 1.00 0.00 C ATOM 996 CD2 LEU B 61 -23.014 -2.035 17.688 1.00 0.00 C ATOM 0 H LEU B 61 -22.319 -3.228 13.748 1.00 0.00 H new ATOM 0 HA LEU B 61 -24.428 -2.253 15.395 1.00 0.00 H new ATOM 0 HB2 LEU B 61 -21.668 -1.288 14.616 1.00 0.00 H new ATOM 0 HB3 LEU B 61 -22.715 -0.319 15.633 1.00 0.00 H new ATOM 0 HG LEU B 61 -21.831 -3.140 16.300 1.00 0.00 H new ATOM 0 HD11 LEU B 61 -20.312 -2.077 17.919 1.00 0.00 H new ATOM 0 HD12 LEU B 61 -19.914 -1.625 16.245 1.00 0.00 H new ATOM 0 HD13 LEU B 61 -20.775 -0.475 17.296 1.00 0.00 H new ATOM 0 HD21 LEU B 61 -22.641 -2.576 18.558 1.00 0.00 H new ATOM 0 HD22 LEU B 61 -23.197 -0.995 17.959 1.00 0.00 H new ATOM 0 HD23 LEU B 61 -23.944 -2.491 17.348 1.00 0.00 H new ATOM 1008 N PHE B 62 -23.622 -0.388 12.774 1.00 0.00 N ATOM 1009 CA PHE B 62 -24.134 0.627 11.861 1.00 0.00 C ATOM 1010 C PHE B 62 -25.477 0.203 11.274 1.00 0.00 C ATOM 1011 O PHE B 62 -26.470 0.923 11.384 1.00 0.00 O ATOM 1012 CB PHE B 62 -23.131 0.883 10.735 1.00 0.00 C ATOM 1013 CG PHE B 62 -23.561 1.963 9.783 1.00 0.00 C ATOM 1014 CD1 PHE B 62 -24.098 3.149 10.256 1.00 0.00 C ATOM 1015 CD2 PHE B 62 -23.428 1.791 8.414 1.00 0.00 C ATOM 1016 CE1 PHE B 62 -24.495 4.144 9.383 1.00 0.00 C ATOM 1017 CE2 PHE B 62 -23.822 2.782 7.536 1.00 0.00 C ATOM 1018 CZ PHE B 62 -24.357 3.960 8.021 1.00 0.00 C ATOM 0 H PHE B 62 -22.662 -0.678 12.587 1.00 0.00 H new ATOM 0 HA PHE B 62 -24.279 1.548 12.426 1.00 0.00 H new ATOM 0 HB2 PHE B 62 -22.170 1.155 11.171 1.00 0.00 H new ATOM 0 HB3 PHE B 62 -22.978 -0.041 10.178 1.00 0.00 H new ATOM 0 HD1 PHE B 62 -24.208 3.298 11.320 1.00 0.00 H new ATOM 0 HD2 PHE B 62 -23.012 0.872 8.029 1.00 0.00 H new ATOM 0 HE1 PHE B 62 -24.912 5.064 9.765 1.00 0.00 H new ATOM 0 HE2 PHE B 62 -23.712 2.636 6.472 1.00 0.00 H new ATOM 0 HZ PHE B 62 -24.667 4.736 7.336 1.00 0.00 H new ATOM 1028 N ILE B 63 -25.499 -0.970 10.650 1.00 0.00 N ATOM 1029 CA ILE B 63 -26.719 -1.491 10.046 1.00 0.00 C ATOM 1030 C ILE B 63 -27.866 -1.508 11.051 1.00 0.00 C ATOM 1031 O ILE B 63 -29.001 -1.163 10.719 1.00 0.00 O ATOM 1032 CB ILE B 63 -26.512 -2.915 9.496 1.00 0.00 C ATOM 1033 CG1 ILE B 63 -25.534 -2.894 8.319 1.00 0.00 C ATOM 1034 CG2 ILE B 63 -27.843 -3.519 9.076 1.00 0.00 C ATOM 1035 CD1 ILE B 63 -26.071 -2.175 7.101 1.00 0.00 C ATOM 0 H ILE B 63 -24.686 -1.577 10.550 1.00 0.00 H new ATOM 0 HA ILE B 63 -26.972 -0.825 9.221 1.00 0.00 H new ATOM 0 HB ILE B 63 -26.087 -3.535 10.285 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -24.608 -2.414 8.635 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -25.285 -3.919 8.045 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -27.680 -4.525 8.690 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -28.510 -3.564 9.937 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -28.294 -2.901 8.300 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -25.326 -2.199 6.306 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -26.981 -2.668 6.760 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -26.294 -1.139 7.358 1.00 0.00 H new ATOM 1047 N LEU B 64 -27.562 -1.910 12.280 1.00 0.00 N ATOM 1048 CA LEU B 64 -28.568 -1.970 13.335 1.00 0.00 C ATOM 1049 C LEU B 64 -29.033 -0.571 13.724 1.00 0.00 C ATOM 1050 O LEU B 64 -30.205 -0.359 14.036 1.00 0.00 O ATOM 1051 CB LEU B 64 -28.006 -2.692 14.561 1.00 0.00 C ATOM 1052 CG LEU B 64 -28.093 -4.219 14.539 1.00 0.00 C ATOM 1053 CD1 LEU B 64 -27.275 -4.816 15.674 1.00 0.00 C ATOM 1054 CD2 LEU B 64 -29.543 -4.672 14.628 1.00 0.00 C ATOM 0 H LEU B 64 -26.628 -2.199 12.571 1.00 0.00 H new ATOM 0 HA LEU B 64 -29.426 -2.525 12.955 1.00 0.00 H new ATOM 0 HB2 LEU B 64 -26.960 -2.409 14.676 1.00 0.00 H new ATOM 0 HB3 LEU B 64 -28.533 -2.331 15.444 1.00 0.00 H new ATOM 0 HG LEU B 64 -27.680 -4.574 13.595 1.00 0.00 H new ATOM 0 HD11 LEU B 64 -27.349 -5.903 15.643 1.00 0.00 H new ATOM 0 HD12 LEU B 64 -26.232 -4.520 15.566 1.00 0.00 H new ATOM 0 HD13 LEU B 64 -27.658 -4.454 16.628 1.00 0.00 H new ATOM 0 HD21 LEU B 64 -29.586 -5.761 14.611 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -29.982 -4.306 15.556 1.00 0.00 H new ATOM 0 HD23 LEU B 64 -30.101 -4.274 13.781 1.00 0.00 H new ATOM 1066 N VAL B 65 -28.107 0.383 13.702 1.00 0.00 N ATOM 1067 CA VAL B 65 -28.423 1.763 14.049 1.00 0.00 C ATOM 1068 C VAL B 65 -29.506 2.326 13.136 1.00 0.00 C ATOM 1069 O VAL B 65 -30.464 2.946 13.600 1.00 0.00 O ATOM 1070 CB VAL B 65 -27.176 2.663 13.963 1.00 0.00 C ATOM 1071 CG1 VAL B 65 -27.538 4.109 14.268 1.00 0.00 C ATOM 1072 CG2 VAL B 65 -26.094 2.165 14.909 1.00 0.00 C ATOM 0 H VAL B 65 -27.132 0.225 13.447 1.00 0.00 H new ATOM 0 HA VAL B 65 -28.787 1.755 15.077 1.00 0.00 H new ATOM 0 HB VAL B 65 -26.787 2.618 12.946 1.00 0.00 H new ATOM 0 HG11 VAL B 65 -26.644 4.729 14.202 1.00 0.00 H new ATOM 0 HG12 VAL B 65 -28.277 4.459 13.547 1.00 0.00 H new ATOM 0 HG13 VAL B 65 -27.953 4.176 15.274 1.00 0.00 H new ATOM 0 HG21 VAL B 65 -25.220 2.812 14.835 1.00 0.00 H new ATOM 0 HG22 VAL B 65 -26.471 2.179 15.932 1.00 0.00 H new ATOM 0 HG23 VAL B 65 -25.815 1.147 14.639 1.00 0.00 H new ATOM 1082 N ILE B 66 -29.349 2.105 11.835 1.00 0.00 N ATOM 1083 CA ILE B 66 -30.315 2.588 10.856 1.00 0.00 C ATOM 1084 C ILE B 66 -31.663 1.896 11.026 1.00 0.00 C ATOM 1085 O ILE B 66 -32.689 2.550 11.215 1.00 0.00 O ATOM 1086 CB ILE B 66 -29.815 2.368 9.416 1.00 0.00 C ATOM 1087 CG1 ILE B 66 -28.431 2.995 9.232 1.00 0.00 C ATOM 1088 CG2 ILE B 66 -30.804 2.951 8.417 1.00 0.00 C ATOM 1089 CD1 ILE B 66 -27.363 1.998 8.842 1.00 0.00 C ATOM 0 H ILE B 66 -28.562 1.595 11.435 1.00 0.00 H new ATOM 0 HA ILE B 66 -30.434 3.657 11.031 1.00 0.00 H new ATOM 0 HB ILE B 66 -29.735 1.296 9.235 1.00 0.00 H new ATOM 0 HG12 ILE B 66 -28.491 3.769 8.467 1.00 0.00 H new ATOM 0 HG13 ILE B 66 -28.137 3.486 10.160 1.00 0.00 H new ATOM 0 HG21 ILE B 66 -30.437 2.788 7.404 1.00 0.00 H new ATOM 0 HG22 ILE B 66 -31.771 2.463 8.535 1.00 0.00 H new ATOM 0 HG23 ILE B 66 -30.913 4.021 8.595 1.00 0.00 H new ATOM 0 HD11 ILE B 66 -26.409 2.513 8.729 1.00 0.00 H new ATOM 0 HD12 ILE B 66 -27.275 1.237 9.617 1.00 0.00 H new ATOM 0 HD13 ILE B 66 -27.634 1.525 7.898 1.00 0.00 H new ATOM 1101 N VAL B 67 -31.653 0.569 10.959 1.00 0.00 N ATOM 1102 CA VAL B 67 -32.875 -0.213 11.108 1.00 0.00 C ATOM 1103 C VAL B 67 -33.592 0.131 12.408 1.00 0.00 C ATOM 1104 O VAL B 67 -34.777 0.461 12.407 1.00 0.00 O ATOM 1105 CB VAL B 67 -32.580 -1.725 11.080 1.00 0.00 C ATOM 1106 CG1 VAL B 67 -33.876 -2.522 11.105 1.00 0.00 C ATOM 1107 CG2 VAL B 67 -31.747 -2.083 9.859 1.00 0.00 C ATOM 0 H VAL B 67 -30.813 0.013 10.803 1.00 0.00 H new ATOM 0 HA VAL B 67 -33.518 0.039 10.265 1.00 0.00 H new ATOM 0 HB VAL B 67 -32.006 -1.982 11.970 1.00 0.00 H new ATOM 0 HG11 VAL B 67 -33.648 -3.588 11.085 1.00 0.00 H new ATOM 0 HG12 VAL B 67 -34.430 -2.287 12.013 1.00 0.00 H new ATOM 0 HG13 VAL B 67 -34.479 -2.263 10.235 1.00 0.00 H new ATOM 0 HG21 VAL B 67 -31.548 -3.155 9.856 1.00 0.00 H new ATOM 0 HG22 VAL B 67 -32.292 -1.812 8.955 1.00 0.00 H new ATOM 0 HG23 VAL B 67 -30.803 -1.539 9.890 1.00 0.00 H new