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 76:sc= 1.27 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 -11.997 -9.876 2.194 1.00 0.00 N ATOM 142 CA PRO A 51 -12.557 -10.199 3.509 1.00 0.00 C ATOM 143 C PRO A 51 -13.220 -8.994 4.168 1.00 0.00 C ATOM 144 O PRO A 51 -14.284 -9.113 4.777 1.00 0.00 O ATOM 145 CB PRO A 51 -11.335 -10.644 4.316 1.00 0.00 C ATOM 146 CG PRO A 51 -10.181 -9.968 3.660 1.00 0.00 C ATOM 147 CD PRO A 51 -10.524 -9.888 2.199 1.00 0.00 C ATOM 0 HA PRO A 51 -13.340 -10.955 3.444 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.423 -10.351 5.362 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.222 -11.728 4.297 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -10.022 -8.974 4.078 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.260 -10.530 3.814 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.113 -8.989 1.739 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.127 -10.739 1.646 1.00 0.00 H new ATOM 155 N LEU A 52 -12.585 -7.834 4.043 1.00 0.00 N ATOM 156 CA LEU A 52 -13.114 -6.606 4.627 1.00 0.00 C ATOM 157 C LEU A 52 -14.559 -6.375 4.194 1.00 0.00 C ATOM 158 O LEU A 52 -15.481 -6.466 5.005 1.00 0.00 O ATOM 159 CB LEU A 52 -12.251 -5.411 4.218 1.00 0.00 C ATOM 160 CG LEU A 52 -12.741 -4.039 4.683 1.00 0.00 C ATOM 161 CD1 LEU A 52 -12.756 -3.964 6.202 1.00 0.00 C ATOM 162 CD2 LEU A 52 -11.868 -2.936 4.101 1.00 0.00 C ATOM 0 H LEU A 52 -11.704 -7.718 3.543 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.091 -6.710 5.712 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.244 -5.566 4.606 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.175 -5.398 3.131 1.00 0.00 H new ATOM 0 HG LEU A 52 -13.760 -3.897 4.323 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -13.107 -2.981 6.514 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -13.423 -4.730 6.598 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.748 -4.128 6.584 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.231 -1.967 4.442 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.838 -3.075 4.431 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.909 -2.976 3.012 1.00 0.00 H new ATOM 174 N ILE A 53 -14.747 -6.080 2.913 1.00 0.00 N ATOM 175 CA ILE A 53 -16.080 -5.841 2.372 1.00 0.00 C ATOM 176 C ILE A 53 -17.002 -7.025 2.640 1.00 0.00 C ATOM 177 O ILE A 53 -18.146 -6.852 3.062 1.00 0.00 O ATOM 178 CB ILE A 53 -16.033 -5.574 0.856 1.00 0.00 C ATOM 179 CG1 ILE A 53 -15.067 -4.429 0.548 1.00 0.00 C ATOM 180 CG2 ILE A 53 -17.425 -5.255 0.332 1.00 0.00 C ATOM 181 CD1 ILE A 53 -15.563 -3.077 1.012 1.00 0.00 C ATOM 0 H ILE A 53 -13.994 -6.001 2.230 1.00 0.00 H new ATOM 0 HA ILE A 53 -16.471 -4.957 2.876 1.00 0.00 H new ATOM 0 HB ILE A 53 -15.674 -6.472 0.354 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -14.108 -4.637 1.022 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -14.891 -4.393 -0.527 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -17.376 -5.069 -0.741 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -18.088 -6.099 0.524 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -17.810 -4.369 0.837 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -14.827 -2.313 0.760 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -16.508 -2.847 0.519 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -15.712 -3.095 2.092 1.00 0.00 H new ATOM 193 N ALA A 54 -16.497 -8.230 2.394 1.00 0.00 N ATOM 194 CA ALA A 54 -17.274 -9.443 2.613 1.00 0.00 C ATOM 195 C ALA A 54 -17.871 -9.468 4.015 1.00 0.00 C ATOM 196 O ALA A 54 -19.090 -9.489 4.181 1.00 0.00 O ATOM 197 CB ALA A 54 -16.407 -10.673 2.384 1.00 0.00 C ATOM 0 H ALA A 54 -15.553 -8.391 2.043 1.00 0.00 H new ATOM 0 HA ALA A 54 -18.096 -9.452 1.897 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.000 -11.572 2.551 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -16.034 -10.669 1.360 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -15.566 -10.659 3.077 1.00 0.00 H new ATOM 203 N ALA A 55 -17.004 -9.467 5.023 1.00 0.00 N ATOM 204 CA ALA A 55 -17.446 -9.488 6.411 1.00 0.00 C ATOM 205 C ALA A 55 -18.472 -8.391 6.678 1.00 0.00 C ATOM 206 O ALA A 55 -19.393 -8.569 7.474 1.00 0.00 O ATOM 207 CB ALA A 55 -16.256 -9.338 7.347 1.00 0.00 C ATOM 0 H ALA A 55 -15.991 -9.452 4.903 1.00 0.00 H new ATOM 0 HA ALA A 55 -17.923 -10.450 6.599 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.602 -9.355 8.381 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -15.559 -10.160 7.184 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.754 -8.391 7.148 1.00 0.00 H new ATOM 213 N GLY A 56 -18.306 -7.256 6.006 1.00 0.00 N ATOM 214 CA GLY A 56 -19.225 -6.147 6.185 1.00 0.00 C ATOM 215 C GLY A 56 -20.654 -6.518 5.844 1.00 0.00 C ATOM 216 O GLY A 56 -21.552 -6.389 6.677 1.00 0.00 O ATOM 0 H GLY A 56 -17.552 -7.085 5.341 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -19.179 -5.804 7.219 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.910 -5.313 5.558 1.00 0.00 H new ATOM 220 N VAL A 57 -20.868 -6.978 4.615 1.00 0.00 N ATOM 221 CA VAL A 57 -22.199 -7.368 4.166 1.00 0.00 C ATOM 222 C VAL A 57 -22.722 -8.557 4.964 1.00 0.00 C ATOM 223 O VAL A 57 -23.913 -8.641 5.264 1.00 0.00 O ATOM 224 CB VAL A 57 -22.203 -7.727 2.668 1.00 0.00 C ATOM 225 CG1 VAL A 57 -23.625 -7.943 2.174 1.00 0.00 C ATOM 226 CG2 VAL A 57 -21.508 -6.642 1.859 1.00 0.00 C ATOM 0 H VAL A 57 -20.137 -7.090 3.913 1.00 0.00 H new ATOM 0 HA VAL A 57 -22.852 -6.510 4.328 1.00 0.00 H new ATOM 0 HB VAL A 57 -21.652 -8.658 2.534 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -23.607 -8.196 1.114 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -24.085 -8.758 2.734 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -24.203 -7.031 2.320 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -21.520 -6.912 0.803 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -22.029 -5.695 1.998 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -20.476 -6.541 2.196 1.00 0.00 H new ATOM 236 N ILE A 58 -21.823 -9.475 5.305 1.00 0.00 N ATOM 237 CA ILE A 58 -22.194 -10.659 6.070 1.00 0.00 C ATOM 238 C ILE A 58 -22.671 -10.283 7.468 1.00 0.00 C ATOM 239 O ILE A 58 -23.713 -10.749 7.927 1.00 0.00 O ATOM 240 CB ILE A 58 -21.016 -11.644 6.189 1.00 0.00 C ATOM 241 CG1 ILE A 58 -20.636 -12.187 4.810 1.00 0.00 C ATOM 242 CG2 ILE A 58 -21.371 -12.782 7.133 1.00 0.00 C ATOM 243 CD1 ILE A 58 -19.417 -13.083 4.828 1.00 0.00 C ATOM 0 H ILE A 58 -20.833 -9.421 5.064 1.00 0.00 H new ATOM 0 HA ILE A 58 -23.008 -11.142 5.529 1.00 0.00 H new ATOM 0 HB ILE A 58 -20.157 -11.113 6.599 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -21.480 -12.744 4.402 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -20.452 -11.350 4.137 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -20.529 -13.470 7.207 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -21.598 -12.379 8.120 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -22.242 -13.314 6.750 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -19.206 -13.431 3.817 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -18.560 -12.524 5.205 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -19.605 -13.940 5.475 1.00 0.00 H new ATOM 255 N GLY A 59 -21.901 -9.434 8.142 1.00 0.00 N ATOM 256 CA GLY A 59 -22.262 -9.008 9.482 1.00 0.00 C ATOM 257 C GLY A 59 -23.633 -8.364 9.535 1.00 0.00 C ATOM 258 O GLY A 59 -24.481 -8.759 10.334 1.00 0.00 O ATOM 0 H GLY A 59 -21.034 -9.034 7.784 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -22.242 -9.868 10.151 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -21.517 -8.301 9.848 1.00 0.00 H new ATOM 262 N GLY A 60 -23.851 -7.367 8.683 1.00 0.00 N ATOM 263 CA GLY A 60 -25.130 -6.682 8.654 1.00 0.00 C ATOM 264 C GLY A 60 -26.289 -7.628 8.413 1.00 0.00 C ATOM 265 O GLY A 60 -27.338 -7.512 9.048 1.00 0.00 O ATOM 0 H GLY A 60 -23.165 -7.021 8.012 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -25.281 -6.161 9.599 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -25.115 -5.924 7.871 1.00 0.00 H new ATOM 269 N LEU A 61 -26.103 -8.567 7.491 1.00 0.00 N ATOM 270 CA LEU A 61 -27.142 -9.537 7.166 1.00 0.00 C ATOM 271 C LEU A 61 -27.378 -10.494 8.330 1.00 0.00 C ATOM 272 O LEU A 61 -28.486 -10.582 8.860 1.00 0.00 O ATOM 273 CB LEU A 61 -26.758 -10.325 5.913 1.00 0.00 C ATOM 274 CG LEU A 61 -26.897 -9.583 4.583 1.00 0.00 C ATOM 275 CD1 LEU A 61 -26.353 -10.427 3.441 1.00 0.00 C ATOM 276 CD2 LEU A 61 -28.351 -9.213 4.329 1.00 0.00 C ATOM 0 H LEU A 61 -25.242 -8.677 6.956 1.00 0.00 H new ATOM 0 HA LEU A 61 -28.066 -8.991 6.976 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -25.723 -10.652 6.017 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -27.374 -11.224 5.871 1.00 0.00 H new ATOM 0 HG LEU A 61 -26.313 -8.664 4.639 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -26.461 -9.883 2.503 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -25.299 -10.642 3.617 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -26.909 -11.363 3.383 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -28.432 -8.686 3.378 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -28.956 -10.119 4.294 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -28.708 -8.569 5.133 1.00 0.00 H new ATOM 288 N PHE A 62 -26.329 -11.207 8.724 1.00 0.00 N ATOM 289 CA PHE A 62 -26.421 -12.157 9.827 1.00 0.00 C ATOM 290 C PHE A 62 -27.038 -11.502 11.059 1.00 0.00 C ATOM 291 O PHE A 62 -28.028 -11.990 11.605 1.00 0.00 O ATOM 292 CB PHE A 62 -25.036 -12.710 10.169 1.00 0.00 C ATOM 293 CG PHE A 62 -25.054 -13.734 11.268 1.00 0.00 C ATOM 294 CD1 PHE A 62 -26.010 -14.736 11.283 1.00 0.00 C ATOM 295 CD2 PHE A 62 -24.114 -13.693 12.286 1.00 0.00 C ATOM 296 CE1 PHE A 62 -26.029 -15.680 12.293 1.00 0.00 C ATOM 297 CE2 PHE A 62 -24.128 -14.635 13.297 1.00 0.00 C ATOM 298 CZ PHE A 62 -25.087 -15.629 13.302 1.00 0.00 C ATOM 0 H PHE A 62 -25.405 -11.145 8.296 1.00 0.00 H new ATOM 0 HA PHE A 62 -27.065 -12.978 9.513 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -24.601 -13.156 9.275 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -24.387 -11.885 10.462 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -26.749 -14.780 10.497 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -23.363 -12.917 12.289 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -26.780 -16.457 12.293 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -23.389 -14.594 14.083 1.00 0.00 H new ATOM 0 HZ PHE A 62 -25.100 -16.364 14.093 1.00 0.00 H new ATOM 308 N ILE A 63 -26.445 -10.394 11.492 1.00 0.00 N ATOM 309 CA ILE A 63 -26.936 -9.671 12.658 1.00 0.00 C ATOM 310 C ILE A 63 -28.425 -9.365 12.529 1.00 0.00 C ATOM 311 O ILE A 63 -29.187 -9.522 13.484 1.00 0.00 O ATOM 312 CB ILE A 63 -26.169 -8.352 12.867 1.00 0.00 C ATOM 313 CG1 ILE A 63 -24.718 -8.637 13.259 1.00 0.00 C ATOM 314 CG2 ILE A 63 -26.853 -7.504 13.929 1.00 0.00 C ATOM 315 CD1 ILE A 63 -24.574 -9.275 14.623 1.00 0.00 C ATOM 0 H ILE A 63 -25.624 -9.978 11.052 1.00 0.00 H new ATOM 0 HA ILE A 63 -26.774 -10.317 13.521 1.00 0.00 H new ATOM 0 HB ILE A 63 -26.170 -7.796 11.929 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -24.270 -9.292 12.512 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -24.156 -7.703 13.242 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -26.299 -6.575 14.065 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -27.871 -7.276 13.613 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -26.880 -8.052 14.871 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -23.519 -9.448 14.834 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -24.992 -8.612 15.381 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -25.108 -10.225 14.638 1.00 0.00 H new ATOM 327 N LEU A 64 -28.833 -8.930 11.342 1.00 0.00 N ATOM 328 CA LEU A 64 -30.232 -8.603 11.087 1.00 0.00 C ATOM 329 C LEU A 64 -31.098 -9.858 11.121 1.00 0.00 C ATOM 330 O LEU A 64 -32.247 -9.820 11.563 1.00 0.00 O ATOM 331 CB LEU A 64 -30.374 -7.908 9.732 1.00 0.00 C ATOM 332 CG LEU A 64 -29.939 -6.443 9.680 1.00 0.00 C ATOM 333 CD1 LEU A 64 -29.805 -5.977 8.239 1.00 0.00 C ATOM 334 CD2 LEU A 64 -30.926 -5.567 10.436 1.00 0.00 C ATOM 0 H LEU A 64 -28.216 -8.796 10.541 1.00 0.00 H new ATOM 0 HA LEU A 64 -30.572 -7.928 11.872 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -29.792 -8.465 8.998 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -31.418 -7.967 9.423 1.00 0.00 H new ATOM 0 HG LEU A 64 -28.964 -6.356 10.160 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -29.495 -4.932 8.222 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -29.059 -6.586 7.728 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -30.765 -6.079 7.733 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -30.601 -4.528 10.389 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -31.914 -5.659 9.985 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -30.972 -5.886 11.477 1.00 0.00 H new ATOM 346 N VAL A 65 -30.540 -10.970 10.654 1.00 0.00 N ATOM 347 CA VAL A 65 -31.260 -12.237 10.634 1.00 0.00 C ATOM 348 C VAL A 65 -31.698 -12.643 12.037 1.00 0.00 C ATOM 349 O VAL A 65 -32.839 -13.054 12.248 1.00 0.00 O ATOM 350 CB VAL A 65 -30.399 -13.363 10.031 1.00 0.00 C ATOM 351 CG1 VAL A 65 -31.139 -14.691 10.089 1.00 0.00 C ATOM 352 CG2 VAL A 65 -30.006 -13.025 8.601 1.00 0.00 C ATOM 0 H VAL A 65 -29.591 -11.019 10.284 1.00 0.00 H new ATOM 0 HA VAL A 65 -32.141 -12.090 10.010 1.00 0.00 H new ATOM 0 HB VAL A 65 -29.488 -13.456 10.622 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -30.515 -15.474 9.659 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -31.365 -14.936 11.127 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -32.068 -14.615 9.523 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -29.398 -13.831 8.190 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -30.904 -12.904 7.996 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -29.433 -12.098 8.591 1.00 0.00 H new ATOM 362 N ILE A 66 -30.783 -12.524 12.993 1.00 0.00 N ATOM 363 CA ILE A 66 -31.075 -12.877 14.377 1.00 0.00 C ATOM 364 C ILE A 66 -32.092 -11.918 14.986 1.00 0.00 C ATOM 365 O ILE A 66 -33.149 -12.335 15.459 1.00 0.00 O ATOM 366 CB ILE A 66 -29.800 -12.872 15.241 1.00 0.00 C ATOM 367 CG1 ILE A 66 -28.724 -13.755 14.605 1.00 0.00 C ATOM 368 CG2 ILE A 66 -30.114 -13.344 16.652 1.00 0.00 C ATOM 369 CD1 ILE A 66 -27.457 -13.006 14.255 1.00 0.00 C ATOM 0 H ILE A 66 -29.834 -12.186 12.835 1.00 0.00 H new ATOM 0 HA ILE A 66 -31.491 -13.884 14.364 1.00 0.00 H new ATOM 0 HB ILE A 66 -29.421 -11.852 15.297 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -28.479 -14.566 15.291 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -29.128 -14.212 13.702 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -29.203 -13.335 17.250 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -30.851 -12.679 17.103 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -30.514 -14.357 16.616 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -26.739 -13.694 13.809 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -27.688 -12.212 13.545 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -27.030 -12.572 15.159 1.00 0.00 H new ATOM 381 N VAL A 67 -31.765 -10.629 14.970 1.00 0.00 N ATOM 382 CA VAL A 67 -32.651 -9.609 15.518 1.00 0.00 C ATOM 383 C VAL A 67 -34.043 -9.702 14.903 1.00 0.00 C ATOM 384 O VAL A 67 -35.042 -9.796 15.615 1.00 0.00 O ATOM 385 CB VAL A 67 -32.091 -8.194 15.281 1.00 0.00 C ATOM 386 CG1 VAL A 67 -32.950 -7.155 15.986 1.00 0.00 C ATOM 387 CG2 VAL A 67 -30.646 -8.108 15.747 1.00 0.00 C ATOM 0 H VAL A 67 -30.893 -10.267 14.584 1.00 0.00 H new ATOM 0 HA VAL A 67 -32.718 -9.791 16.591 1.00 0.00 H new ATOM 0 HB VAL A 67 -32.116 -7.986 14.211 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -32.539 -6.161 15.807 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -33.968 -7.202 15.599 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -32.959 -7.357 17.057 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -30.267 -7.101 15.572 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -30.593 -8.336 16.812 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -30.041 -8.825 15.192 1.00 0.00 H new ATOM 397 N GLY A 68 -34.101 -9.677 13.575 1.00 0.00 N ATOM 398 CA GLY A 68 -35.376 -9.760 12.887 1.00 0.00 C ATOM 399 C GLY A 68 -36.206 -10.943 13.344 1.00 0.00 C ATOM 400 O GLY A 68 -37.339 -10.777 13.799 1.00 0.00 O ATOM 0 H GLY A 68 -33.288 -9.601 12.964 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -35.936 -8.840 13.055 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -35.202 -9.835 11.814 1.00 0.00 H new ATOM 404 N LEU A 69 -35.644 -12.140 13.223 1.00 0.00 N ATOM 405 CA LEU A 69 -36.341 -13.357 13.626 1.00 0.00 C ATOM 406 C LEU A 69 -36.734 -13.297 15.098 1.00 0.00 C ATOM 407 O LEU A 69 -37.858 -13.641 15.467 1.00 0.00 O ATOM 408 CB LEU A 69 -35.459 -14.581 13.372 1.00 0.00 C ATOM 409 CG LEU A 69 -35.327 -15.022 11.913 1.00 0.00 C ATOM 410 CD1 LEU A 69 -34.422 -16.239 11.804 1.00 0.00 C ATOM 411 CD2 LEU A 69 -36.696 -15.317 11.319 1.00 0.00 C ATOM 0 H LEU A 69 -34.708 -12.295 12.849 1.00 0.00 H new ATOM 0 HA LEU A 69 -37.249 -13.441 13.029 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -34.462 -14.372 13.759 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -35.856 -15.416 13.949 1.00 0.00 H new ATOM 0 HG LEU A 69 -34.876 -14.208 11.346 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -34.340 -16.539 10.759 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -33.433 -15.993 12.190 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -34.844 -17.059 12.385 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -36.583 -15.629 10.281 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -37.175 -16.114 11.887 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -37.313 -14.419 11.363 1.00 0.00 H new ATOM 423 N THR A 70 -35.802 -12.855 15.937 1.00 0.00 N ATOM 424 CA THR A 70 -36.052 -12.748 17.369 1.00 0.00 C ATOM 425 C THR A 70 -37.333 -11.971 17.647 1.00 0.00 C ATOM 426 O THR A 70 -38.071 -12.285 18.582 1.00 0.00 O ATOM 427 CB THR A 70 -34.879 -12.060 18.094 1.00 0.00 C ATOM 428 OG1 THR A 70 -33.710 -12.884 18.027 1.00 0.00 O ATOM 429 CG2 THR A 70 -35.229 -11.784 19.548 1.00 0.00 C ATOM 0 H THR A 70 -34.867 -12.565 15.649 1.00 0.00 H new ATOM 0 HA THR A 70 -36.158 -13.764 17.748 1.00 0.00 H new ATOM 0 HB THR A 70 -34.681 -11.110 17.598 1.00 0.00 H new ATOM 0 HG1 THR A 70 -33.324 -12.832 17.128 1.00 0.00 H new ATOM 0 HG21 THR A 70 -34.386 -11.298 20.039 1.00 0.00 H new ATOM 0 HG22 THR A 70 -36.101 -11.132 19.595 1.00 0.00 H new ATOM 0 HG23 THR A 70 -35.451 -12.724 20.054 1.00 0.00 H new ATOM 437 N PHE A 71 -37.592 -10.955 16.831 1.00 0.00 N ATOM 438 CA PHE A 71 -38.786 -10.132 16.990 1.00 0.00 C ATOM 439 C PHE A 71 -40.036 -10.899 16.570 1.00 0.00 C ATOM 440 O PHE A 71 -41.025 -10.943 17.300 1.00 0.00 O ATOM 441 CB PHE A 71 -38.660 -8.849 16.165 1.00 0.00 C ATOM 442 CG PHE A 71 -39.742 -7.846 16.448 1.00 0.00 C ATOM 443 CD1 PHE A 71 -39.590 -6.909 17.457 1.00 0.00 C ATOM 444 CD2 PHE A 71 -40.911 -7.841 15.704 1.00 0.00 C ATOM 445 CE1 PHE A 71 -40.584 -5.985 17.720 1.00 0.00 C ATOM 446 CE2 PHE A 71 -41.908 -6.919 15.962 1.00 0.00 C ATOM 447 CZ PHE A 71 -41.745 -5.991 16.972 1.00 0.00 C ATOM 0 H PHE A 71 -36.992 -10.681 16.053 1.00 0.00 H new ATOM 0 HA PHE A 71 -38.879 -9.871 18.044 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -37.691 -8.392 16.364 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -38.680 -9.104 15.106 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -38.684 -6.900 18.045 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -41.045 -8.565 14.914 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -40.453 -5.260 18.509 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -42.814 -6.924 15.374 1.00 0.00 H new ATOM 0 HZ PHE A 71 -42.524 -5.271 17.176 1.00 0.00 H new ATOM 457 N ALA A 72 -39.982 -11.503 15.387 1.00 0.00 N ATOM 458 CA ALA A 72 -41.109 -12.270 14.870 1.00 0.00 C ATOM 459 C ALA A 72 -41.401 -13.480 15.751 1.00 0.00 C ATOM 460 O ALA A 72 -42.530 -13.968 15.799 1.00 0.00 O ATOM 461 CB ALA A 72 -40.834 -12.711 13.440 1.00 0.00 C ATOM 0 H ALA A 72 -39.171 -11.476 14.769 1.00 0.00 H new ATOM 0 HA ALA A 72 -41.989 -11.627 14.879 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -41.683 -13.283 13.066 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -40.682 -11.834 12.811 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -39.939 -13.333 13.417 1.00 0.00 H new ATOM 467 N VAL A 73 -40.375 -13.960 16.448 1.00 0.00 N ATOM 468 CA VAL A 73 -40.522 -15.113 17.329 1.00 0.00 C ATOM 469 C VAL A 73 -41.076 -14.699 18.687 1.00 0.00 C ATOM 470 O VAL A 73 -41.993 -15.330 19.213 1.00 0.00 O ATOM 471 CB VAL A 73 -39.178 -15.837 17.534 1.00 0.00 C ATOM 472 CG1 VAL A 73 -39.338 -16.991 18.512 1.00 0.00 C ATOM 473 CG2 VAL A 73 -38.630 -16.328 16.203 1.00 0.00 C ATOM 0 H VAL A 73 -39.434 -13.568 16.419 1.00 0.00 H new ATOM 0 HA VAL A 73 -41.223 -15.794 16.846 1.00 0.00 H new ATOM 0 HB VAL A 73 -38.464 -15.130 17.956 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -38.379 -17.491 18.645 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -39.684 -16.609 19.472 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -40.066 -17.701 18.121 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -37.680 -16.837 16.366 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -39.340 -17.020 15.750 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -38.477 -15.479 15.537 1.00 0.00 H new ATOM 483 N TYR A 74 -40.514 -13.635 19.250 1.00 0.00 N ATOM 484 CA TYR A 74 -40.951 -13.137 20.549 1.00 0.00 C ATOM 485 C TYR A 74 -42.443 -12.816 20.536 1.00 0.00 C ATOM 486 O TYR A 74 -43.162 -13.114 21.490 1.00 0.00 O ATOM 487 CB TYR A 74 -40.153 -11.891 20.936 1.00 0.00 C ATOM 488 CG TYR A 74 -40.277 -11.522 22.397 1.00 0.00 C ATOM 489 CD1 TYR A 74 -39.599 -12.240 23.374 1.00 0.00 C ATOM 490 CD2 TYR A 74 -41.071 -10.456 22.800 1.00 0.00 C ATOM 491 CE1 TYR A 74 -39.709 -11.907 24.711 1.00 0.00 C ATOM 492 CE2 TYR A 74 -41.186 -10.115 24.133 1.00 0.00 C ATOM 493 CZ TYR A 74 -40.504 -10.843 25.085 1.00 0.00 C ATOM 494 OH TYR A 74 -40.617 -10.508 26.415 1.00 0.00 O ATOM 0 H TYR A 74 -39.755 -13.101 18.827 1.00 0.00 H new ATOM 0 HA TYR A 74 -40.773 -13.918 21.288 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -39.102 -12.055 20.699 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -40.489 -11.051 20.328 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -38.975 -13.073 23.084 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -41.608 -9.884 22.058 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -39.176 -12.476 25.458 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -41.807 -9.282 24.429 1.00 0.00 H new ATOM 0 HH TYR A 74 -41.213 -9.736 26.508 1.00 0.00 H new ATOM 504 N VAL A 75 -42.901 -12.207 19.447 1.00 0.00 N ATOM 505 CA VAL A 75 -44.306 -11.846 19.307 1.00 0.00 C ATOM 506 C VAL A 75 -45.185 -13.088 19.204 1.00 0.00 C ATOM 507 O VAL A 75 -46.214 -13.190 19.873 1.00 0.00 O ATOM 508 CB VAL A 75 -44.538 -10.962 18.067 1.00 0.00 C ATOM 509 CG1 VAL A 75 -46.023 -10.697 17.871 1.00 0.00 C ATOM 510 CG2 VAL A 75 -43.767 -9.657 18.192 1.00 0.00 C ATOM 0 H VAL A 75 -42.319 -11.953 18.649 1.00 0.00 H new ATOM 0 HA VAL A 75 -44.579 -11.284 20.200 1.00 0.00 H new ATOM 0 HB VAL A 75 -44.169 -11.493 17.189 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -46.168 -10.071 16.991 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -46.546 -11.643 17.734 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -46.420 -10.187 18.748 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -43.942 -9.045 17.307 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -44.104 -9.119 19.078 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -42.702 -9.871 18.280 1.00 0.00 H new ATOM 520 N ARG A 76 -44.771 -14.030 18.363 1.00 0.00 N ATOM 521 CA ARG A 76 -45.521 -15.266 18.172 1.00 0.00 C ATOM 522 C ARG A 76 -45.784 -15.954 19.508 1.00 0.00 C ATOM 523 O ARG A 76 -46.841 -16.551 19.713 1.00 0.00 O ATOM 524 CB ARG A 76 -44.759 -16.211 17.241 1.00 0.00 C ATOM 525 CG ARG A 76 -44.789 -15.783 15.783 1.00 0.00 C ATOM 526 CD ARG A 76 -45.709 -16.671 14.960 1.00 0.00 C ATOM 527 NE ARG A 76 -45.271 -16.774 13.570 1.00 0.00 N ATOM 528 CZ ARG A 76 -46.004 -17.324 12.608 1.00 0.00 C ATOM 529 NH1 ARG A 76 -47.203 -17.817 12.884 1.00 0.00 N ATOM 530 NH2 ARG A 76 -45.537 -17.381 11.368 1.00 0.00 N ATOM 0 H ARG A 76 -43.921 -13.961 17.803 1.00 0.00 H new ATOM 0 HA ARG A 76 -46.479 -15.014 17.718 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -43.722 -16.275 17.571 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -45.183 -17.212 17.326 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -45.123 -14.748 15.713 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -43.781 -15.821 15.371 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -45.745 -17.666 15.404 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -46.723 -16.271 14.992 1.00 0.00 H new ATOM 0 HE ARG A 76 -44.353 -16.404 13.325 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -47.565 -17.775 13.837 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -47.764 -18.239 12.144 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -44.615 -17.003 11.152 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -46.100 -17.803 10.630 1.00 0.00 H new ATOM 544 N ARG A 77 -44.816 -15.867 20.414 1.00 0.00 N ATOM 545 CA ARG A 77 -44.942 -16.483 21.729 1.00 0.00 C ATOM 546 C ARG A 77 -46.189 -15.977 22.449 1.00 0.00 C ATOM 547 O ARG A 77 -46.714 -16.640 23.344 1.00 0.00 O ATOM 548 CB ARG A 77 -43.700 -16.191 22.574 1.00 0.00 C ATOM 549 CG ARG A 77 -42.459 -16.935 22.109 1.00 0.00 C ATOM 550 CD ARG A 77 -41.366 -16.911 23.165 1.00 0.00 C ATOM 551 NE ARG A 77 -41.510 -18.001 24.127 1.00 0.00 N ATOM 552 CZ ARG A 77 -41.209 -19.266 23.855 1.00 0.00 C ATOM 553 NH1 ARG A 77 -40.750 -19.598 22.656 1.00 0.00 N ATOM 554 NH2 ARG A 77 -41.367 -20.201 24.782 1.00 0.00 N ATOM 0 H ARG A 77 -43.935 -15.376 20.261 1.00 0.00 H new ATOM 0 HA ARG A 77 -45.034 -17.560 21.590 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -43.500 -15.120 22.553 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -43.906 -16.457 23.611 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -42.719 -17.968 21.876 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -42.087 -16.485 21.189 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -40.392 -16.982 22.680 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -41.392 -15.957 23.692 1.00 0.00 H new ATOM 0 HE ARG A 77 -41.861 -17.779 25.059 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -40.627 -18.881 21.940 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -40.519 -20.570 22.449 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -41.720 -19.949 25.705 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -41.136 -21.172 24.572 1.00 0.00 H new ATOM 568 N LYS A 78 -46.658 -14.800 22.052 1.00 0.00 N ATOM 569 CA LYS A 78 -47.844 -14.204 22.657 1.00 0.00 C ATOM 570 C LYS A 78 -49.116 -14.779 22.041 1.00 0.00 C ATOM 571 O LYS A 78 -50.130 -14.936 22.721 1.00 0.00 O ATOM 572 CB LYS A 78 -47.822 -12.684 22.483 1.00 0.00 C ATOM 573 CG LYS A 78 -47.772 -11.922 23.796 1.00 0.00 C ATOM 574 CD LYS A 78 -47.313 -10.488 23.592 1.00 0.00 C ATOM 575 CE LYS A 78 -46.125 -10.151 24.481 1.00 0.00 C ATOM 576 NZ LYS A 78 -46.556 -9.672 25.823 1.00 0.00 N ATOM 0 H LYS A 78 -46.235 -14.239 21.313 1.00 0.00 H new ATOM 0 HA LYS A 78 -47.837 -14.441 23.721 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -46.957 -12.408 21.879 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -48.709 -12.377 21.928 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -48.759 -11.927 24.258 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -47.095 -12.427 24.485 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -47.041 -10.337 22.547 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -48.136 -9.807 23.809 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -45.495 -11.033 24.595 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -45.517 -9.385 24.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -45.718 -9.453 26.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -47.136 -8.816 25.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -47.115 -10.413 26.293 1.00 0.00 H new ATOM 875 N LEU B 52 -10.967 -6.976 8.642 1.00 0.00 N ATOM 876 CA LEU B 52 -11.981 -8.022 8.568 1.00 0.00 C ATOM 877 C LEU B 52 -12.901 -7.976 9.783 1.00 0.00 C ATOM 878 O LEU B 52 -14.079 -7.636 9.669 1.00 0.00 O ATOM 879 CB LEU B 52 -11.317 -9.397 8.468 1.00 0.00 C ATOM 880 CG LEU B 52 -12.261 -10.600 8.475 1.00 0.00 C ATOM 881 CD1 LEU B 52 -13.178 -10.566 7.262 1.00 0.00 C ATOM 882 CD2 LEU B 52 -11.469 -11.899 8.511 1.00 0.00 C ATOM 0 HA LEU B 52 -12.581 -7.849 7.675 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -10.728 -9.428 7.551 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -10.620 -9.503 9.299 1.00 0.00 H new ATOM 0 HG LEU B 52 -12.878 -10.549 9.372 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -13.843 -11.430 7.284 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -13.771 -9.651 7.280 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -12.579 -10.592 6.352 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -12.157 -12.745 8.516 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -10.827 -11.958 7.632 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -10.855 -11.926 9.411 1.00 0.00 H new ATOM 894 N ILE B 53 -12.355 -8.317 10.945 1.00 0.00 N ATOM 895 CA ILE B 53 -13.127 -8.311 12.182 1.00 0.00 C ATOM 896 C ILE B 53 -13.754 -6.944 12.432 1.00 0.00 C ATOM 897 O ILE B 53 -14.929 -6.844 12.784 1.00 0.00 O ATOM 898 CB ILE B 53 -12.254 -8.692 13.392 1.00 0.00 C ATOM 899 CG1 ILE B 53 -11.561 -10.034 13.147 1.00 0.00 C ATOM 900 CG2 ILE B 53 -13.097 -8.748 14.657 1.00 0.00 C ATOM 901 CD1 ILE B 53 -12.508 -11.214 13.159 1.00 0.00 C ATOM 0 H ILE B 53 -11.382 -8.601 11.056 1.00 0.00 H new ATOM 0 HA ILE B 53 -13.916 -9.054 12.065 1.00 0.00 H new ATOM 0 HB ILE B 53 -11.488 -7.928 13.523 1.00 0.00 H new ATOM 0 HG12 ILE B 53 -11.049 -9.999 12.185 1.00 0.00 H new ATOM 0 HG13 ILE B 53 -10.797 -10.184 13.910 1.00 0.00 H new ATOM 0 HG21 ILE B 53 -12.466 -9.019 15.503 1.00 0.00 H new ATOM 0 HG22 ILE B 53 -13.547 -7.772 14.838 1.00 0.00 H new ATOM 0 HG23 ILE B 53 -13.883 -9.494 14.538 1.00 0.00 H new ATOM 0 HD11 ILE B 53 -11.948 -12.132 12.979 1.00 0.00 H new ATOM 0 HD12 ILE B 53 -13.002 -11.275 14.129 1.00 0.00 H new ATOM 0 HD13 ILE B 53 -13.257 -11.087 12.378 1.00 0.00 H new ATOM 913 N ALA B 54 -12.962 -5.893 12.246 1.00 0.00 N ATOM 914 CA ALA B 54 -13.441 -4.531 12.447 1.00 0.00 C ATOM 915 C ALA B 54 -14.729 -4.281 11.670 1.00 0.00 C ATOM 916 O ALA B 54 -15.770 -3.981 12.254 1.00 0.00 O ATOM 917 CB ALA B 54 -12.372 -3.530 12.037 1.00 0.00 C ATOM 0 H ALA B 54 -11.986 -5.959 11.957 1.00 0.00 H new ATOM 0 HA ALA B 54 -13.657 -4.401 13.507 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -12.743 -2.517 12.192 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -11.478 -3.685 12.640 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -12.128 -3.669 10.984 1.00 0.00 H new ATOM 923 N ALA B 55 -14.651 -4.405 10.349 1.00 0.00 N ATOM 924 CA ALA B 55 -15.811 -4.194 9.492 1.00 0.00 C ATOM 925 C ALA B 55 -17.006 -5.009 9.974 1.00 0.00 C ATOM 926 O ALA B 55 -18.149 -4.562 9.893 1.00 0.00 O ATOM 927 CB ALA B 55 -15.474 -4.549 8.051 1.00 0.00 C ATOM 0 H ALA B 55 -13.796 -4.651 9.849 1.00 0.00 H new ATOM 0 HA ALA B 55 -16.081 -3.139 9.541 1.00 0.00 H new ATOM 0 HB1 ALA B 55 -16.349 -4.387 7.422 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -14.655 -3.919 7.703 1.00 0.00 H new ATOM 0 HB3 ALA B 55 -15.176 -5.596 7.994 1.00 0.00 H new ATOM 933 N GLY B 56 -16.733 -6.210 10.477 1.00 0.00 N ATOM 934 CA GLY B 56 -17.796 -7.069 10.964 1.00 0.00 C ATOM 935 C GLY B 56 -18.615 -6.414 12.059 1.00 0.00 C ATOM 936 O GLY B 56 -19.832 -6.278 11.937 1.00 0.00 O ATOM 0 H GLY B 56 -15.795 -6.603 10.556 1.00 0.00 H new ATOM 0 HA2 GLY B 56 -18.451 -7.337 10.135 1.00 0.00 H new ATOM 0 HA3 GLY B 56 -17.365 -7.996 11.342 1.00 0.00 H new ATOM 940 N VAL B 57 -17.946 -6.010 13.134 1.00 0.00 N ATOM 941 CA VAL B 57 -18.619 -5.366 14.256 1.00 0.00 C ATOM 942 C VAL B 57 -19.241 -4.040 13.836 1.00 0.00 C ATOM 943 O VAL B 57 -20.323 -3.676 14.299 1.00 0.00 O ATOM 944 CB VAL B 57 -17.647 -5.118 15.426 1.00 0.00 C ATOM 945 CG1 VAL B 57 -18.402 -4.628 16.652 1.00 0.00 C ATOM 946 CG2 VAL B 57 -16.862 -6.382 15.743 1.00 0.00 C ATOM 0 H VAL B 57 -16.939 -6.117 13.252 1.00 0.00 H new ATOM 0 HA VAL B 57 -19.406 -6.044 14.585 1.00 0.00 H new ATOM 0 HB VAL B 57 -16.940 -4.343 15.131 1.00 0.00 H new ATOM 0 HG11 VAL B 57 -17.700 -4.458 17.468 1.00 0.00 H new ATOM 0 HG12 VAL B 57 -18.915 -3.696 16.415 1.00 0.00 H new ATOM 0 HG13 VAL B 57 -19.133 -5.378 16.953 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -16.181 -6.189 16.571 1.00 0.00 H new ATOM 0 HG22 VAL B 57 -17.552 -7.179 16.019 1.00 0.00 H new ATOM 0 HG23 VAL B 57 -16.290 -6.685 14.866 1.00 0.00 H new ATOM 956 N ILE B 58 -18.551 -3.321 12.957 1.00 0.00 N ATOM 957 CA ILE B 58 -19.037 -2.035 12.473 1.00 0.00 C ATOM 958 C ILE B 58 -20.327 -2.199 11.676 1.00 0.00 C ATOM 959 O ILE B 58 -21.290 -1.459 11.874 1.00 0.00 O ATOM 960 CB ILE B 58 -17.988 -1.332 11.592 1.00 0.00 C ATOM 961 CG1 ILE B 58 -16.753 -0.972 12.420 1.00 0.00 C ATOM 962 CG2 ILE B 58 -18.584 -0.087 10.951 1.00 0.00 C ATOM 963 CD1 ILE B 58 -15.630 -0.374 11.601 1.00 0.00 C ATOM 0 H ILE B 58 -17.654 -3.607 12.566 1.00 0.00 H new ATOM 0 HA ILE B 58 -19.232 -1.420 13.352 1.00 0.00 H new ATOM 0 HB ILE B 58 -17.684 -2.015 10.799 1.00 0.00 H new ATOM 0 HG12 ILE B 58 -17.041 -0.265 13.198 1.00 0.00 H new ATOM 0 HG13 ILE B 58 -16.388 -1.868 12.922 1.00 0.00 H new ATOM 0 HG21 ILE B 58 -17.831 0.399 10.331 1.00 0.00 H new ATOM 0 HG22 ILE B 58 -19.436 -0.369 10.332 1.00 0.00 H new ATOM 0 HG23 ILE B 58 -18.913 0.601 11.730 1.00 0.00 H new ATOM 0 HD11 ILE B 58 -14.787 -0.143 12.253 1.00 0.00 H new ATOM 0 HD12 ILE B 58 -15.315 -1.088 10.840 1.00 0.00 H new ATOM 0 HD13 ILE B 58 -15.977 0.540 11.120 1.00 0.00 H new ATOM 975 N GLY B 59 -20.339 -3.176 10.775 1.00 0.00 N ATOM 976 CA GLY B 59 -21.516 -3.422 9.963 1.00 0.00 C ATOM 977 C GLY B 59 -22.743 -3.733 10.798 1.00 0.00 C ATOM 978 O GLY B 59 -23.793 -3.115 10.626 1.00 0.00 O ATOM 0 H GLY B 59 -19.554 -3.802 10.593 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -21.715 -2.548 9.343 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -21.320 -4.254 9.287 1.00 0.00 H new ATOM 982 N GLY B 60 -22.610 -4.696 11.705 1.00 0.00 N ATOM 983 CA GLY B 60 -23.725 -5.073 12.555 1.00 0.00 C ATOM 984 C GLY B 60 -24.262 -3.905 13.358 1.00 0.00 C ATOM 985 O GLY B 60 -25.474 -3.751 13.510 1.00 0.00 O ATOM 0 H GLY B 60 -21.751 -5.222 11.866 1.00 0.00 H new ATOM 0 HA2 GLY B 60 -24.525 -5.485 11.939 1.00 0.00 H new ATOM 0 HA3 GLY B 60 -23.408 -5.863 13.236 1.00 0.00 H new ATOM 989 N LEU B 61 -23.358 -3.081 13.877 1.00 0.00 N ATOM 990 CA LEU B 61 -23.747 -1.921 14.672 1.00 0.00 C ATOM 991 C LEU B 61 -24.429 -0.869 13.802 1.00 0.00 C ATOM 992 O LEU B 61 -25.591 -0.526 14.020 1.00 0.00 O ATOM 993 CB LEU B 61 -22.523 -1.315 15.360 1.00 0.00 C ATOM 994 CG LEU B 61 -22.005 -2.063 16.588 1.00 0.00 C ATOM 995 CD1 LEU B 61 -20.715 -1.433 17.093 1.00 0.00 C ATOM 996 CD2 LEU B 61 -23.058 -2.079 17.687 1.00 0.00 C ATOM 0 H LEU B 61 -22.351 -3.195 13.762 1.00 0.00 H new ATOM 0 HA LEU B 61 -24.455 -2.253 15.431 1.00 0.00 H new ATOM 0 HB2 LEU B 61 -21.715 -1.251 14.631 1.00 0.00 H new ATOM 0 HB3 LEU B 61 -22.766 -0.295 15.657 1.00 0.00 H new ATOM 0 HG LEU B 61 -21.794 -3.093 16.299 1.00 0.00 H new ATOM 0 HD11 LEU B 61 -20.361 -1.979 17.968 1.00 0.00 H new ATOM 0 HD12 LEU B 61 -19.959 -1.474 16.309 1.00 0.00 H new ATOM 0 HD13 LEU B 61 -20.900 -0.394 17.364 1.00 0.00 H new ATOM 0 HD21 LEU B 61 -22.672 -2.616 18.553 1.00 0.00 H new ATOM 0 HD22 LEU B 61 -23.301 -1.056 17.973 1.00 0.00 H new ATOM 0 HD23 LEU B 61 -23.957 -2.577 17.323 1.00 0.00 H new ATOM 1008 N PHE B 62 -23.698 -0.362 12.814 1.00 0.00 N ATOM 1009 CA PHE B 62 -24.232 0.650 11.910 1.00 0.00 C ATOM 1010 C PHE B 62 -25.573 0.209 11.331 1.00 0.00 C ATOM 1011 O PHE B 62 -26.576 0.913 11.453 1.00 0.00 O ATOM 1012 CB PHE B 62 -23.241 0.927 10.778 1.00 0.00 C ATOM 1013 CG PHE B 62 -23.698 1.999 9.830 1.00 0.00 C ATOM 1014 CD1 PHE B 62 -24.243 3.179 10.309 1.00 0.00 C ATOM 1015 CD2 PHE B 62 -23.583 1.826 8.460 1.00 0.00 C ATOM 1016 CE1 PHE B 62 -24.664 4.168 9.439 1.00 0.00 C ATOM 1017 CE2 PHE B 62 -24.002 2.811 7.586 1.00 0.00 C ATOM 1018 CZ PHE B 62 -24.545 3.982 8.076 1.00 0.00 C ATOM 0 H PHE B 62 -22.735 -0.635 12.619 1.00 0.00 H new ATOM 0 HA PHE B 62 -24.386 1.566 12.481 1.00 0.00 H new ATOM 0 HB2 PHE B 62 -22.283 1.218 11.208 1.00 0.00 H new ATOM 0 HB3 PHE B 62 -23.073 0.006 10.219 1.00 0.00 H new ATOM 0 HD1 PHE B 62 -24.340 3.328 11.374 1.00 0.00 H new ATOM 0 HD2 PHE B 62 -23.161 0.911 8.071 1.00 0.00 H new ATOM 0 HE1 PHE B 62 -25.085 5.084 9.825 1.00 0.00 H new ATOM 0 HE2 PHE B 62 -23.905 2.665 6.520 1.00 0.00 H new ATOM 0 HZ PHE B 62 -24.876 4.751 7.394 1.00 0.00 H new ATOM 1028 N ILE B 63 -25.582 -0.960 10.700 1.00 0.00 N ATOM 1029 CA ILE B 63 -26.798 -1.496 10.102 1.00 0.00 C ATOM 1030 C ILE B 63 -27.938 -1.533 11.114 1.00 0.00 C ATOM 1031 O ILE B 63 -29.080 -1.202 10.792 1.00 0.00 O ATOM 1032 CB ILE B 63 -26.575 -2.915 9.545 1.00 0.00 C ATOM 1033 CG1 ILE B 63 -25.601 -2.876 8.366 1.00 0.00 C ATOM 1034 CG2 ILE B 63 -27.899 -3.534 9.125 1.00 0.00 C ATOM 1035 CD1 ILE B 63 -26.149 -2.156 7.154 1.00 0.00 C ATOM 0 H ILE B 63 -24.760 -1.554 10.590 1.00 0.00 H new ATOM 0 HA ILE B 63 -27.065 -0.831 9.281 1.00 0.00 H new ATOM 0 HB ILE B 63 -26.141 -3.533 10.331 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -24.679 -2.388 8.683 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -25.341 -3.897 8.086 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -27.724 -4.536 8.734 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -28.563 -3.592 9.987 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -28.360 -2.918 8.353 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -25.405 -2.167 6.357 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -27.055 -2.657 6.812 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -26.382 -1.125 7.418 1.00 0.00 H new ATOM 1047 N LEU B 64 -27.621 -1.936 12.340 1.00 0.00 N ATOM 1048 CA LEU B 64 -28.618 -2.014 13.401 1.00 0.00 C ATOM 1049 C LEU B 64 -29.097 -0.623 13.803 1.00 0.00 C ATOM 1050 O LEU B 64 -30.268 -0.427 14.127 1.00 0.00 O ATOM 1051 CB LEU B 64 -28.040 -2.738 14.619 1.00 0.00 C ATOM 1052 CG LEU B 64 -28.112 -4.265 14.589 1.00 0.00 C ATOM 1053 CD1 LEU B 64 -27.285 -4.861 15.717 1.00 0.00 C ATOM 1054 CD2 LEU B 64 -29.558 -4.732 14.681 1.00 0.00 C ATOM 0 H LEU B 64 -26.681 -2.214 12.623 1.00 0.00 H new ATOM 0 HA LEU B 64 -29.471 -2.576 13.022 1.00 0.00 H new ATOM 0 HB2 LEU B 64 -26.996 -2.446 14.729 1.00 0.00 H new ATOM 0 HB3 LEU B 64 -28.564 -2.387 15.508 1.00 0.00 H new ATOM 0 HG LEU B 64 -27.698 -4.611 13.642 1.00 0.00 H new ATOM 0 HD11 LEU B 64 -27.349 -5.948 15.679 1.00 0.00 H new ATOM 0 HD12 LEU B 64 -26.245 -4.554 15.607 1.00 0.00 H new ATOM 0 HD13 LEU B 64 -27.668 -4.508 16.675 1.00 0.00 H new ATOM 0 HD21 LEU B 64 -29.591 -5.821 14.658 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -29.997 -4.375 15.613 1.00 0.00 H new ATOM 0 HD23 LEU B 64 -30.123 -4.334 13.838 1.00 0.00 H new ATOM 1066 N VAL B 65 -28.183 0.342 13.778 1.00 0.00 N ATOM 1067 CA VAL B 65 -28.512 1.717 14.136 1.00 0.00 C ATOM 1068 C VAL B 65 -29.610 2.271 13.236 1.00 0.00 C ATOM 1069 O VAL B 65 -30.569 2.880 13.713 1.00 0.00 O ATOM 1070 CB VAL B 65 -27.276 2.632 14.042 1.00 0.00 C ATOM 1071 CG1 VAL B 65 -27.653 4.072 14.358 1.00 0.00 C ATOM 1072 CG2 VAL B 65 -26.179 2.143 14.976 1.00 0.00 C ATOM 0 H VAL B 65 -27.209 0.197 13.514 1.00 0.00 H new ATOM 0 HA VAL B 65 -28.865 1.700 15.167 1.00 0.00 H new ATOM 0 HB VAL B 65 -26.895 2.596 13.021 1.00 0.00 H new ATOM 0 HG11 VAL B 65 -26.768 4.704 14.287 1.00 0.00 H new ATOM 0 HG12 VAL B 65 -28.403 4.416 13.646 1.00 0.00 H new ATOM 0 HG13 VAL B 65 -28.059 4.129 15.368 1.00 0.00 H new ATOM 0 HG21 VAL B 65 -25.314 2.801 14.897 1.00 0.00 H new ATOM 0 HG22 VAL B 65 -26.546 2.148 16.002 1.00 0.00 H new ATOM 0 HG23 VAL B 65 -25.891 1.129 14.699 1.00 0.00 H new ATOM 1082 N ILE B 66 -29.465 2.056 11.933 1.00 0.00 N ATOM 1083 CA ILE B 66 -30.446 2.533 10.966 1.00 0.00 C ATOM 1084 C ILE B 66 -31.783 1.819 11.142 1.00 0.00 C ATOM 1085 O ILE B 66 -32.816 2.456 11.348 1.00 0.00 O ATOM 1086 CB ILE B 66 -29.956 2.332 9.520 1.00 0.00 C ATOM 1087 CG1 ILE B 66 -28.578 2.970 9.332 1.00 0.00 C ATOM 1088 CG2 ILE B 66 -30.956 2.918 8.535 1.00 0.00 C ATOM 1089 CD1 ILE B 66 -27.506 1.984 8.923 1.00 0.00 C ATOM 0 H ILE B 66 -28.677 1.554 11.522 1.00 0.00 H new ATOM 0 HA ILE B 66 -30.578 3.599 11.151 1.00 0.00 H new ATOM 0 HB ILE B 66 -29.870 1.263 9.327 1.00 0.00 H new ATOM 0 HG12 ILE B 66 -28.649 3.752 8.576 1.00 0.00 H new ATOM 0 HG13 ILE B 66 -28.280 3.453 10.263 1.00 0.00 H new ATOM 0 HG21 ILE B 66 -30.595 2.768 7.517 1.00 0.00 H new ATOM 0 HG22 ILE B 66 -31.919 2.422 8.655 1.00 0.00 H new ATOM 0 HG23 ILE B 66 -31.072 3.985 8.725 1.00 0.00 H new ATOM 0 HD11 ILE B 66 -26.556 2.506 8.808 1.00 0.00 H new ATOM 0 HD12 ILE B 66 -27.407 1.215 9.689 1.00 0.00 H new ATOM 0 HD13 ILE B 66 -27.781 1.519 7.976 1.00 0.00 H new ATOM 1101 N VAL B 67 -31.754 0.493 11.061 1.00 0.00 N ATOM 1102 CA VAL B 67 -32.963 -0.309 11.213 1.00 0.00 C ATOM 1103 C VAL B 67 -33.675 0.016 12.522 1.00 0.00 C ATOM 1104 O VAL B 67 -34.865 0.330 12.532 1.00 0.00 O ATOM 1105 CB VAL B 67 -32.646 -1.815 11.174 1.00 0.00 C ATOM 1106 CG1 VAL B 67 -33.929 -2.632 11.206 1.00 0.00 C ATOM 1107 CG2 VAL B 67 -31.819 -2.153 9.942 1.00 0.00 C ATOM 0 H VAL B 67 -30.907 -0.049 10.891 1.00 0.00 H new ATOM 0 HA VAL B 67 -33.615 -0.062 10.376 1.00 0.00 H new ATOM 0 HB VAL B 67 -32.060 -2.069 12.058 1.00 0.00 H new ATOM 0 HG11 VAL B 67 -33.685 -3.694 11.178 1.00 0.00 H new ATOM 0 HG12 VAL B 67 -34.479 -2.410 12.121 1.00 0.00 H new ATOM 0 HG13 VAL B 67 -34.544 -2.378 10.343 1.00 0.00 H new ATOM 0 HG21 VAL B 67 -31.604 -3.221 9.930 1.00 0.00 H new ATOM 0 HG22 VAL B 67 -32.377 -1.885 9.045 1.00 0.00 H new ATOM 0 HG23 VAL B 67 -30.883 -1.595 9.968 1.00 0.00 H new