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 74:sc= 1.28 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 -11.987 -10.014 2.223 1.00 0.00 N ATOM 142 CA PRO A 51 -12.522 -10.332 3.550 1.00 0.00 C ATOM 143 C PRO A 51 -13.201 -9.133 4.204 1.00 0.00 C ATOM 144 O PRO A 51 -14.289 -9.255 4.770 1.00 0.00 O ATOM 145 CB PRO A 51 -11.280 -10.741 4.345 1.00 0.00 C ATOM 146 CG PRO A 51 -10.150 -10.049 3.665 1.00 0.00 C ATOM 147 CD PRO A 51 -10.514 -9.995 2.207 1.00 0.00 C ATOM 0 HA PRO A 51 -13.290 -11.104 3.505 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.360 -10.437 5.389 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.144 -11.822 4.338 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -10.007 -9.047 4.069 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.215 -10.589 3.814 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.129 -9.094 1.730 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.107 -10.845 1.659 1.00 0.00 H new ATOM 155 N LEU A 52 -12.555 -7.975 4.121 1.00 0.00 N ATOM 156 CA LEU A 52 -13.097 -6.753 4.705 1.00 0.00 C ATOM 157 C LEU A 52 -14.531 -6.517 4.239 1.00 0.00 C ATOM 158 O LEU A 52 -15.473 -6.617 5.025 1.00 0.00 O ATOM 159 CB LEU A 52 -12.224 -5.555 4.330 1.00 0.00 C ATOM 160 CG LEU A 52 -12.648 -4.206 4.914 1.00 0.00 C ATOM 161 CD1 LEU A 52 -12.561 -4.231 6.432 1.00 0.00 C ATOM 162 CD2 LEU A 52 -11.788 -3.086 4.347 1.00 0.00 C ATOM 0 H LEU A 52 -11.655 -7.857 3.655 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.100 -6.868 5.789 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.202 -5.761 4.649 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.207 -5.469 3.244 1.00 0.00 H new ATOM 0 HG LEU A 52 -13.684 -4.019 4.633 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -12.866 -3.263 6.830 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -13.219 -5.007 6.821 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.535 -4.440 6.734 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.103 -2.134 4.773 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.743 -3.267 4.598 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.901 -3.054 3.263 1.00 0.00 H new ATOM 174 N ILE A 53 -14.687 -6.205 2.957 1.00 0.00 N ATOM 175 CA ILE A 53 -16.006 -5.959 2.387 1.00 0.00 C ATOM 176 C ILE A 53 -16.951 -7.123 2.664 1.00 0.00 C ATOM 177 O ILE A 53 -18.082 -6.925 3.107 1.00 0.00 O ATOM 178 CB ILE A 53 -15.927 -5.728 0.866 1.00 0.00 C ATOM 179 CG1 ILE A 53 -14.953 -4.591 0.551 1.00 0.00 C ATOM 180 CG2 ILE A 53 -17.307 -5.421 0.305 1.00 0.00 C ATOM 181 CD1 ILE A 53 -15.461 -3.228 0.966 1.00 0.00 C ATOM 0 H ILE A 53 -13.917 -6.117 2.294 1.00 0.00 H new ATOM 0 HA ILE A 53 -16.393 -5.059 2.864 1.00 0.00 H new ATOM 0 HB ILE A 53 -15.558 -6.638 0.393 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -14.006 -4.785 1.054 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -14.750 -4.584 -0.520 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -17.235 -5.260 -0.771 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -17.975 -6.259 0.503 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -17.702 -4.523 0.780 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -14.719 -2.471 0.712 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -16.393 -3.013 0.444 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -15.637 -3.217 2.042 1.00 0.00 H new ATOM 193 N ALA A 54 -16.479 -8.337 2.403 1.00 0.00 N ATOM 194 CA ALA A 54 -17.280 -9.533 2.628 1.00 0.00 C ATOM 195 C ALA A 54 -17.877 -9.538 4.031 1.00 0.00 C ATOM 196 O ALA A 54 -19.096 -9.540 4.198 1.00 0.00 O ATOM 197 CB ALA A 54 -16.439 -10.782 2.406 1.00 0.00 C ATOM 0 H ALA A 54 -15.545 -8.518 2.035 1.00 0.00 H new ATOM 0 HA ALA A 54 -18.101 -9.530 1.912 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.051 -11.668 2.578 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -16.065 -10.792 1.382 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -15.598 -10.782 3.099 1.00 0.00 H new ATOM 203 N ALA A 55 -17.010 -9.541 5.038 1.00 0.00 N ATOM 204 CA ALA A 55 -17.452 -9.544 6.427 1.00 0.00 C ATOM 205 C ALA A 55 -18.463 -8.432 6.684 1.00 0.00 C ATOM 206 O ALA A 55 -19.368 -8.580 7.504 1.00 0.00 O ATOM 207 CB ALA A 55 -16.259 -9.401 7.361 1.00 0.00 C ATOM 0 H ALA A 55 -15.997 -9.541 4.918 1.00 0.00 H new ATOM 0 HA ALA A 55 -17.942 -10.498 6.624 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.604 -9.405 8.395 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -15.573 -10.233 7.204 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.745 -8.463 7.153 1.00 0.00 H new ATOM 213 N GLY A 56 -18.303 -7.318 5.977 1.00 0.00 N ATOM 214 CA GLY A 56 -19.209 -6.196 6.144 1.00 0.00 C ATOM 215 C GLY A 56 -20.643 -6.555 5.806 1.00 0.00 C ATOM 216 O GLY A 56 -21.539 -6.412 6.637 1.00 0.00 O ATOM 0 H GLY A 56 -17.562 -7.172 5.291 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -19.159 -5.842 7.174 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.884 -5.372 5.508 1.00 0.00 H new ATOM 220 N VAL A 57 -20.861 -7.020 4.580 1.00 0.00 N ATOM 221 CA VAL A 57 -22.196 -7.399 4.133 1.00 0.00 C ATOM 222 C VAL A 57 -22.730 -8.580 4.936 1.00 0.00 C ATOM 223 O VAL A 57 -23.922 -8.652 5.236 1.00 0.00 O ATOM 224 CB VAL A 57 -22.205 -7.764 2.636 1.00 0.00 C ATOM 225 CG1 VAL A 57 -23.629 -7.968 2.144 1.00 0.00 C ATOM 226 CG2 VAL A 57 -21.499 -6.690 1.823 1.00 0.00 C ATOM 0 H VAL A 57 -20.130 -7.143 3.879 1.00 0.00 H new ATOM 0 HA VAL A 57 -22.840 -6.534 4.292 1.00 0.00 H new ATOM 0 HB VAL A 57 -21.664 -8.701 2.505 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -23.615 -8.225 1.085 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -24.096 -8.776 2.707 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -24.198 -7.050 2.287 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -21.514 -6.963 0.768 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -22.010 -5.737 1.958 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -20.466 -6.599 2.159 1.00 0.00 H new ATOM 236 N ILE A 58 -21.840 -9.505 5.280 1.00 0.00 N ATOM 237 CA ILE A 58 -22.222 -10.682 6.050 1.00 0.00 C ATOM 238 C ILE A 58 -22.678 -10.297 7.453 1.00 0.00 C ATOM 239 O ILE A 58 -23.729 -10.737 7.918 1.00 0.00 O ATOM 240 CB ILE A 58 -21.058 -11.685 6.158 1.00 0.00 C ATOM 241 CG1 ILE A 58 -20.688 -12.221 4.773 1.00 0.00 C ATOM 242 CG2 ILE A 58 -21.429 -12.828 7.092 1.00 0.00 C ATOM 243 CD1 ILE A 58 -19.479 -13.130 4.780 1.00 0.00 C ATOM 0 H ILE A 58 -20.850 -9.462 5.038 1.00 0.00 H new ATOM 0 HA ILE A 58 -23.049 -11.153 5.518 1.00 0.00 H new ATOM 0 HB ILE A 58 -20.191 -11.170 6.572 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -21.539 -12.765 4.364 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -20.497 -11.380 4.106 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -20.597 -13.529 7.158 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -21.649 -12.431 8.083 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -22.308 -13.344 6.705 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -19.275 -13.472 3.765 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -18.615 -12.584 5.159 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -19.674 -13.990 5.421 1.00 0.00 H new ATOM 255 N GLY A 59 -21.880 -9.471 8.124 1.00 0.00 N ATOM 256 CA GLY A 59 -22.220 -9.039 9.467 1.00 0.00 C ATOM 257 C GLY A 59 -23.581 -8.376 9.536 1.00 0.00 C ATOM 258 O GLY A 59 -24.421 -8.751 10.353 1.00 0.00 O ATOM 0 H GLY A 59 -21.005 -9.094 7.761 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -22.204 -9.899 10.137 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -21.462 -8.342 9.824 1.00 0.00 H new ATOM 262 N GLY A 60 -23.800 -7.386 8.676 1.00 0.00 N ATOM 263 CA GLY A 60 -25.070 -6.684 8.661 1.00 0.00 C ATOM 264 C GLY A 60 -26.244 -7.614 8.431 1.00 0.00 C ATOM 265 O GLY A 60 -27.279 -7.496 9.089 1.00 0.00 O ATOM 0 H GLY A 60 -23.121 -7.058 7.990 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -25.204 -6.162 9.608 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -25.053 -5.925 7.879 1.00 0.00 H new ATOM 269 N LEU A 61 -26.086 -8.542 7.493 1.00 0.00 N ATOM 270 CA LEU A 61 -27.143 -9.497 7.175 1.00 0.00 C ATOM 271 C LEU A 61 -27.374 -10.459 8.336 1.00 0.00 C ATOM 272 O LEU A 61 -28.482 -10.555 8.865 1.00 0.00 O ATOM 273 CB LEU A 61 -26.786 -10.280 5.911 1.00 0.00 C ATOM 274 CG LEU A 61 -26.935 -9.526 4.589 1.00 0.00 C ATOM 275 CD1 LEU A 61 -26.435 -10.376 3.431 1.00 0.00 C ATOM 276 CD2 LEU A 61 -28.385 -9.119 4.368 1.00 0.00 C ATOM 0 H LEU A 61 -25.237 -8.654 6.939 1.00 0.00 H new ATOM 0 HA LEU A 61 -28.063 -8.939 7.001 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -25.754 -10.620 5.998 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -27.413 -11.171 5.871 1.00 0.00 H new ATOM 0 HG LEU A 61 -26.328 -8.622 4.637 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -26.549 -9.823 2.498 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -25.383 -10.617 3.584 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -27.014 -11.298 3.380 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -28.473 -8.584 3.423 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -29.013 -10.010 4.340 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -28.710 -8.472 5.183 1.00 0.00 H new ATOM 288 N PHE A 62 -26.321 -11.169 8.728 1.00 0.00 N ATOM 289 CA PHE A 62 -26.409 -12.123 9.827 1.00 0.00 C ATOM 290 C PHE A 62 -27.032 -11.476 11.061 1.00 0.00 C ATOM 291 O PHE A 62 -28.035 -11.958 11.588 1.00 0.00 O ATOM 292 CB PHE A 62 -25.021 -12.668 10.169 1.00 0.00 C ATOM 293 CG PHE A 62 -25.056 -13.901 11.027 1.00 0.00 C ATOM 294 CD1 PHE A 62 -25.929 -14.937 10.739 1.00 0.00 C ATOM 295 CD2 PHE A 62 -24.215 -14.023 12.121 1.00 0.00 C ATOM 296 CE1 PHE A 62 -25.964 -16.071 11.528 1.00 0.00 C ATOM 297 CE2 PHE A 62 -24.244 -15.155 12.913 1.00 0.00 C ATOM 298 CZ PHE A 62 -25.120 -16.181 12.615 1.00 0.00 C ATOM 0 H PHE A 62 -25.397 -11.102 8.301 1.00 0.00 H new ATOM 0 HA PHE A 62 -27.048 -12.947 9.509 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -24.490 -12.893 9.244 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -24.452 -11.893 10.683 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -26.590 -14.858 9.888 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -23.528 -13.224 12.358 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -26.651 -16.871 11.294 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -23.583 -15.238 13.763 1.00 0.00 H new ATOM 0 HZ PHE A 62 -25.144 -17.068 13.231 1.00 0.00 H new ATOM 308 N ILE A 63 -26.429 -10.383 11.516 1.00 0.00 N ATOM 309 CA ILE A 63 -26.924 -9.669 12.687 1.00 0.00 C ATOM 310 C ILE A 63 -28.410 -9.355 12.551 1.00 0.00 C ATOM 311 O ILE A 63 -29.179 -9.515 13.500 1.00 0.00 O ATOM 312 CB ILE A 63 -26.151 -8.356 12.914 1.00 0.00 C ATOM 313 CG1 ILE A 63 -24.699 -8.653 13.295 1.00 0.00 C ATOM 314 CG2 ILE A 63 -26.828 -7.524 13.993 1.00 0.00 C ATOM 315 CD1 ILE A 63 -24.552 -9.317 14.646 1.00 0.00 C ATOM 0 H ILE A 63 -25.597 -9.972 11.092 1.00 0.00 H new ATOM 0 HA ILE A 63 -26.771 -10.324 13.545 1.00 0.00 H new ATOM 0 HB ILE A 63 -26.153 -7.784 11.986 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -24.256 -9.295 12.534 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -24.134 -7.721 13.294 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -26.271 -6.599 14.143 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -27.847 -7.288 13.685 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -26.852 -8.088 14.926 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -23.497 -9.498 14.850 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -24.965 -8.667 15.418 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -25.089 -10.266 14.646 1.00 0.00 H new ATOM 327 N LEU A 64 -28.808 -8.907 11.366 1.00 0.00 N ATOM 328 CA LEU A 64 -30.204 -8.572 11.104 1.00 0.00 C ATOM 329 C LEU A 64 -31.080 -9.820 11.140 1.00 0.00 C ATOM 330 O LEU A 64 -32.220 -9.778 11.602 1.00 0.00 O ATOM 331 CB LEU A 64 -30.337 -7.880 9.746 1.00 0.00 C ATOM 332 CG LEU A 64 -29.888 -6.419 9.691 1.00 0.00 C ATOM 333 CD1 LEU A 64 -29.732 -5.963 8.248 1.00 0.00 C ATOM 334 CD2 LEU A 64 -30.877 -5.529 10.430 1.00 0.00 C ATOM 0 H LEU A 64 -28.184 -8.767 10.571 1.00 0.00 H new ATOM 0 HA LEU A 64 -30.541 -7.892 11.886 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -29.759 -8.445 9.015 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -31.381 -7.931 9.435 1.00 0.00 H new ATOM 0 HG LEU A 64 -28.919 -6.337 10.183 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -29.412 -4.921 8.228 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -28.985 -6.581 7.750 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -30.687 -6.059 7.731 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -30.542 -4.493 10.381 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -31.860 -5.615 9.967 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -30.939 -5.841 11.473 1.00 0.00 H new ATOM 346 N VAL A 65 -30.539 -10.930 10.650 1.00 0.00 N ATOM 347 CA VAL A 65 -31.270 -12.192 10.628 1.00 0.00 C ATOM 348 C VAL A 65 -31.712 -12.595 12.030 1.00 0.00 C ATOM 349 O VAL A 65 -32.863 -12.976 12.243 1.00 0.00 O ATOM 350 CB VAL A 65 -30.418 -13.324 10.025 1.00 0.00 C ATOM 351 CG1 VAL A 65 -31.168 -14.646 10.082 1.00 0.00 C ATOM 352 CG2 VAL A 65 -30.021 -12.988 8.595 1.00 0.00 C ATOM 0 H VAL A 65 -29.597 -10.982 10.263 1.00 0.00 H new ATOM 0 HA VAL A 65 -32.150 -12.037 10.003 1.00 0.00 H new ATOM 0 HB VAL A 65 -29.508 -13.425 10.617 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -30.550 -15.434 9.651 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -31.396 -14.890 11.119 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -32.096 -14.563 9.516 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -29.419 -13.799 8.184 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -30.918 -12.859 7.989 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -29.441 -12.065 8.586 1.00 0.00 H new ATOM 362 N ILE A 66 -30.790 -12.508 12.983 1.00 0.00 N ATOM 363 CA ILE A 66 -31.085 -12.862 14.366 1.00 0.00 C ATOM 364 C ILE A 66 -32.105 -11.904 14.973 1.00 0.00 C ATOM 365 O ILE A 66 -33.163 -12.322 15.442 1.00 0.00 O ATOM 366 CB ILE A 66 -29.812 -12.856 15.233 1.00 0.00 C ATOM 367 CG1 ILE A 66 -28.739 -13.750 14.608 1.00 0.00 C ATOM 368 CG2 ILE A 66 -30.133 -13.314 16.648 1.00 0.00 C ATOM 369 CD1 ILE A 66 -27.475 -13.008 14.237 1.00 0.00 C ATOM 0 H ILE A 66 -29.832 -12.195 12.823 1.00 0.00 H new ATOM 0 HA ILE A 66 -31.500 -13.870 14.352 1.00 0.00 H new ATOM 0 HB ILE A 66 -29.427 -11.837 15.280 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -28.490 -14.548 15.307 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -29.147 -14.224 13.716 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -29.223 -13.304 17.249 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -30.867 -12.641 17.091 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -30.539 -14.325 16.620 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -26.759 -13.704 13.800 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -27.710 -12.228 13.513 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -27.043 -12.556 15.130 1.00 0.00 H new ATOM 381 N VAL A 67 -31.779 -10.615 14.959 1.00 0.00 N ATOM 382 CA VAL A 67 -32.668 -9.597 15.506 1.00 0.00 C ATOM 383 C VAL A 67 -34.062 -9.699 14.897 1.00 0.00 C ATOM 384 O VAL A 67 -35.057 -9.800 15.613 1.00 0.00 O ATOM 385 CB VAL A 67 -32.115 -8.180 15.260 1.00 0.00 C ATOM 386 CG1 VAL A 67 -32.977 -7.141 15.961 1.00 0.00 C ATOM 387 CG2 VAL A 67 -30.669 -8.085 15.723 1.00 0.00 C ATOM 0 H VAL A 67 -30.907 -10.252 14.575 1.00 0.00 H new ATOM 0 HA VAL A 67 -32.730 -9.775 16.580 1.00 0.00 H new ATOM 0 HB VAL A 67 -32.144 -7.978 14.189 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -32.571 -6.147 15.776 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -33.996 -7.194 15.577 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -32.983 -7.337 17.033 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -30.294 -7.078 15.542 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -30.613 -8.307 16.789 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -30.062 -8.803 15.171 1.00 0.00 H new ATOM 397 N GLY A 68 -34.125 -9.673 13.569 1.00 0.00 N ATOM 398 CA GLY A 68 -35.402 -9.764 12.885 1.00 0.00 C ATOM 399 C GLY A 68 -36.224 -10.951 13.349 1.00 0.00 C ATOM 400 O GLY A 68 -37.352 -10.789 13.817 1.00 0.00 O ATOM 0 H GLY A 68 -33.315 -9.591 12.955 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -35.967 -8.847 13.052 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -35.231 -9.842 11.811 1.00 0.00 H new ATOM 404 N LEU A 69 -35.661 -12.146 13.217 1.00 0.00 N ATOM 405 CA LEU A 69 -36.350 -13.366 13.624 1.00 0.00 C ATOM 406 C LEU A 69 -36.743 -13.303 15.097 1.00 0.00 C ATOM 407 O LEU A 69 -37.863 -13.655 15.468 1.00 0.00 O ATOM 408 CB LEU A 69 -35.461 -14.586 13.373 1.00 0.00 C ATOM 409 CG LEU A 69 -35.326 -15.029 11.916 1.00 0.00 C ATOM 410 CD1 LEU A 69 -34.413 -16.241 11.809 1.00 0.00 C ATOM 411 CD2 LEU A 69 -36.694 -15.335 11.322 1.00 0.00 C ATOM 0 H LEU A 69 -34.729 -12.297 12.831 1.00 0.00 H new ATOM 0 HA LEU A 69 -37.258 -13.458 13.028 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -34.465 -14.371 13.760 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -35.854 -15.422 13.951 1.00 0.00 H new ATOM 0 HG LEU A 69 -34.880 -14.213 11.348 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -34.329 -16.542 10.765 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -33.425 -15.988 12.194 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -34.830 -17.063 12.391 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -36.578 -15.649 10.285 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -37.168 -16.134 11.892 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -37.317 -14.441 11.364 1.00 0.00 H new ATOM 423 N THR A 70 -35.813 -12.851 15.933 1.00 0.00 N ATOM 424 CA THR A 70 -36.062 -12.741 17.365 1.00 0.00 C ATOM 425 C THR A 70 -37.349 -11.972 17.642 1.00 0.00 C ATOM 426 O THR A 70 -38.088 -12.293 18.573 1.00 0.00 O ATOM 427 CB THR A 70 -34.895 -12.042 18.086 1.00 0.00 C ATOM 428 OG1 THR A 70 -33.717 -12.854 18.014 1.00 0.00 O ATOM 429 CG2 THR A 70 -35.242 -11.771 19.542 1.00 0.00 C ATOM 0 H THR A 70 -34.881 -12.555 15.643 1.00 0.00 H new ATOM 0 HA THR A 70 -36.159 -13.757 17.748 1.00 0.00 H new ATOM 0 HB THR A 70 -34.710 -11.089 17.590 1.00 0.00 H new ATOM 0 HG1 THR A 70 -33.347 -12.814 17.107 1.00 0.00 H new ATOM 0 HG21 THR A 70 -34.402 -11.277 20.030 1.00 0.00 H new ATOM 0 HG22 THR A 70 -36.121 -11.128 19.593 1.00 0.00 H new ATOM 0 HG23 THR A 70 -35.452 -12.714 20.047 1.00 0.00 H new ATOM 437 N PHE A 71 -37.613 -10.956 16.827 1.00 0.00 N ATOM 438 CA PHE A 71 -38.811 -10.141 16.985 1.00 0.00 C ATOM 439 C PHE A 71 -40.056 -10.918 16.567 1.00 0.00 C ATOM 440 O PHE A 71 -41.049 -10.956 17.293 1.00 0.00 O ATOM 441 CB PHE A 71 -38.695 -8.859 16.157 1.00 0.00 C ATOM 442 CG PHE A 71 -39.899 -7.967 16.261 1.00 0.00 C ATOM 443 CD1 PHE A 71 -40.426 -7.634 17.498 1.00 0.00 C ATOM 444 CD2 PHE A 71 -40.503 -7.461 15.121 1.00 0.00 C ATOM 445 CE1 PHE A 71 -41.534 -6.813 17.596 1.00 0.00 C ATOM 446 CE2 PHE A 71 -41.611 -6.640 15.213 1.00 0.00 C ATOM 447 CZ PHE A 71 -42.126 -6.315 16.452 1.00 0.00 C ATOM 0 H PHE A 71 -37.013 -10.678 16.050 1.00 0.00 H new ATOM 0 HA PHE A 71 -38.904 -9.878 18.039 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -37.814 -8.305 16.481 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -38.539 -9.124 15.111 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -39.966 -8.020 18.396 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -40.103 -7.711 14.149 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -41.936 -6.561 18.566 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -42.073 -6.253 14.317 1.00 0.00 H new ATOM 0 HZ PHE A 71 -42.991 -5.672 16.527 1.00 0.00 H new ATOM 457 N ALA A 72 -39.995 -11.535 15.392 1.00 0.00 N ATOM 458 CA ALA A 72 -41.115 -12.313 14.878 1.00 0.00 C ATOM 459 C ALA A 72 -41.399 -13.520 15.765 1.00 0.00 C ATOM 460 O ALA A 72 -42.523 -14.020 15.809 1.00 0.00 O ATOM 461 CB ALA A 72 -40.838 -12.758 13.450 1.00 0.00 C ATOM 0 H ALA A 72 -39.181 -11.511 14.778 1.00 0.00 H new ATOM 0 HA ALA A 72 -42.000 -11.676 14.883 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -41.683 -13.338 13.079 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -40.694 -11.882 12.817 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -39.938 -13.373 13.429 1.00 0.00 H new ATOM 467 N VAL A 73 -40.372 -13.985 16.469 1.00 0.00 N ATOM 468 CA VAL A 73 -40.511 -15.135 17.355 1.00 0.00 C ATOM 469 C VAL A 73 -41.076 -14.720 18.709 1.00 0.00 C ATOM 470 O VAL A 73 -41.987 -15.359 19.236 1.00 0.00 O ATOM 471 CB VAL A 73 -39.161 -15.844 17.570 1.00 0.00 C ATOM 472 CG1 VAL A 73 -39.312 -16.991 18.558 1.00 0.00 C ATOM 473 CG2 VAL A 73 -38.603 -16.340 16.245 1.00 0.00 C ATOM 0 H VAL A 73 -39.435 -13.583 16.443 1.00 0.00 H new ATOM 0 HA VAL A 73 -41.203 -15.825 16.872 1.00 0.00 H new ATOM 0 HB VAL A 73 -38.456 -15.126 17.989 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -38.348 -17.480 18.698 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -39.664 -16.604 19.514 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -40.032 -17.712 18.171 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -37.649 -16.838 16.416 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -39.304 -17.043 15.795 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -38.456 -15.495 15.573 1.00 0.00 H new ATOM 483 N TYR A 74 -40.529 -13.645 19.268 1.00 0.00 N ATOM 484 CA TYR A 74 -40.977 -13.145 20.562 1.00 0.00 C ATOM 485 C TYR A 74 -42.471 -12.836 20.539 1.00 0.00 C ATOM 486 O TYR A 74 -43.196 -13.143 21.486 1.00 0.00 O ATOM 487 CB TYR A 74 -40.191 -11.891 20.947 1.00 0.00 C ATOM 488 CG TYR A 74 -40.327 -11.516 22.406 1.00 0.00 C ATOM 489 CD1 TYR A 74 -39.734 -12.286 23.399 1.00 0.00 C ATOM 490 CD2 TYR A 74 -41.048 -10.392 22.790 1.00 0.00 C ATOM 491 CE1 TYR A 74 -39.856 -11.947 24.733 1.00 0.00 C ATOM 492 CE2 TYR A 74 -41.174 -10.046 24.122 1.00 0.00 C ATOM 493 CZ TYR A 74 -40.576 -10.826 25.089 1.00 0.00 C ATOM 494 OH TYR A 74 -40.701 -10.485 26.416 1.00 0.00 O ATOM 0 H TYR A 74 -39.775 -13.104 18.845 1.00 0.00 H new ATOM 0 HA TYR A 74 -40.797 -13.921 21.306 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -39.137 -12.048 20.717 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -40.530 -11.057 20.333 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -39.168 -13.164 23.124 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -41.518 -9.779 22.035 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -39.390 -12.557 25.493 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -41.738 -9.169 24.404 1.00 0.00 H new ATOM 0 HH TYR A 74 -41.238 -9.669 26.495 1.00 0.00 H new ATOM 504 N VAL A 75 -42.926 -12.225 19.449 1.00 0.00 N ATOM 505 CA VAL A 75 -44.333 -11.875 19.299 1.00 0.00 C ATOM 506 C VAL A 75 -45.202 -13.123 19.197 1.00 0.00 C ATOM 507 O VAL A 75 -46.234 -13.230 19.860 1.00 0.00 O ATOM 508 CB VAL A 75 -44.564 -10.998 18.054 1.00 0.00 C ATOM 509 CG1 VAL A 75 -46.049 -10.744 17.848 1.00 0.00 C ATOM 510 CG2 VAL A 75 -43.802 -9.687 18.177 1.00 0.00 C ATOM 0 H VAL A 75 -42.340 -11.962 18.657 1.00 0.00 H new ATOM 0 HA VAL A 75 -44.615 -11.311 20.188 1.00 0.00 H new ATOM 0 HB VAL A 75 -44.187 -11.530 17.181 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -46.193 -10.123 16.964 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -46.565 -11.694 17.712 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -46.455 -10.233 18.721 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -43.977 -9.080 17.289 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -44.147 -9.147 19.059 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -42.736 -9.893 18.272 1.00 0.00 H new ATOM 520 N ARG A 76 -44.778 -14.066 18.362 1.00 0.00 N ATOM 521 CA ARG A 76 -45.518 -15.308 18.172 1.00 0.00 C ATOM 522 C ARG A 76 -45.783 -15.993 19.509 1.00 0.00 C ATOM 523 O ARG A 76 -46.837 -16.597 19.710 1.00 0.00 O ATOM 524 CB ARG A 76 -44.745 -16.251 17.248 1.00 0.00 C ATOM 525 CG ARG A 76 -44.781 -15.835 15.786 1.00 0.00 C ATOM 526 CD ARG A 76 -45.700 -16.734 14.974 1.00 0.00 C ATOM 527 NE ARG A 76 -46.172 -16.078 13.757 1.00 0.00 N ATOM 528 CZ ARG A 76 -47.153 -15.183 13.738 1.00 0.00 C ATOM 529 NH1 ARG A 76 -47.764 -14.840 14.864 1.00 0.00 N ATOM 530 NH2 ARG A 76 -47.526 -14.630 12.591 1.00 0.00 N ATOM 0 H ARG A 76 -43.926 -13.994 17.806 1.00 0.00 H new ATOM 0 HA ARG A 76 -46.476 -15.064 17.712 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -43.707 -16.300 17.578 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -45.157 -17.256 17.341 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -45.120 -14.802 15.709 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -43.774 -15.872 15.371 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -45.171 -17.650 14.710 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -46.555 -17.024 15.584 1.00 0.00 H new ATOM 0 HE ARG A 76 -45.724 -16.321 12.874 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -47.481 -15.264 15.747 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -48.517 -14.152 14.847 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -47.059 -14.892 11.723 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -48.280 -13.943 12.577 1.00 0.00 H new ATOM 544 N ARG A 77 -44.820 -15.895 20.420 1.00 0.00 N ATOM 545 CA ARG A 77 -44.948 -16.506 21.737 1.00 0.00 C ATOM 546 C ARG A 77 -46.204 -16.009 22.447 1.00 0.00 C ATOM 547 O ARG A 77 -46.729 -16.673 23.341 1.00 0.00 O ATOM 548 CB ARG A 77 -43.713 -16.201 22.587 1.00 0.00 C ATOM 549 CG ARG A 77 -42.450 -16.887 22.094 1.00 0.00 C ATOM 550 CD ARG A 77 -41.209 -16.312 22.760 1.00 0.00 C ATOM 551 NE ARG A 77 -41.024 -16.830 24.113 1.00 0.00 N ATOM 552 CZ ARG A 77 -40.531 -18.034 24.378 1.00 0.00 C ATOM 553 NH1 ARG A 77 -40.175 -18.841 23.388 1.00 0.00 N ATOM 554 NH2 ARG A 77 -40.393 -18.434 25.636 1.00 0.00 N ATOM 0 H ARG A 77 -43.942 -15.398 20.270 1.00 0.00 H new ATOM 0 HA ARG A 77 -45.030 -17.585 21.603 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -43.549 -15.123 22.601 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -43.905 -16.508 23.615 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -42.512 -17.956 22.298 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -42.371 -16.773 21.013 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -40.332 -16.549 22.158 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -41.287 -15.225 22.795 1.00 0.00 H new ATOM 0 HE ARG A 77 -41.288 -16.234 24.898 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -40.280 -18.537 22.420 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -39.797 -19.765 23.595 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -40.666 -17.816 26.400 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -40.014 -19.359 25.838 1.00 0.00 H new ATOM 568 N LYS A 78 -46.680 -14.836 22.044 1.00 0.00 N ATOM 569 CA LYS A 78 -47.874 -14.249 22.640 1.00 0.00 C ATOM 570 C LYS A 78 -49.137 -14.837 22.019 1.00 0.00 C ATOM 571 O LYS A 78 -50.155 -14.997 22.693 1.00 0.00 O ATOM 572 CB LYS A 78 -47.864 -12.729 22.460 1.00 0.00 C ATOM 573 CG LYS A 78 -47.831 -11.962 23.770 1.00 0.00 C ATOM 574 CD LYS A 78 -47.381 -10.525 23.563 1.00 0.00 C ATOM 575 CE LYS A 78 -46.203 -10.176 24.460 1.00 0.00 C ATOM 576 NZ LYS A 78 -46.589 -10.151 25.898 1.00 0.00 N ATOM 0 H LYS A 78 -46.257 -14.273 21.306 1.00 0.00 H new ATOM 0 HA LYS A 78 -47.871 -14.483 23.705 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -46.997 -12.448 21.862 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -48.749 -12.432 21.897 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -48.822 -11.972 24.224 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -47.156 -12.459 24.467 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -47.102 -10.376 22.520 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -48.211 -9.849 23.770 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -45.405 -10.903 24.311 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -45.805 -9.203 24.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -45.759 -9.909 26.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -47.333 -9.439 26.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -46.945 -11.087 26.178 1.00 0.00 H new ATOM 875 N LEU B 52 -10.947 -7.284 8.836 1.00 0.00 N ATOM 876 CA LEU B 52 -11.996 -8.296 8.779 1.00 0.00 C ATOM 877 C LEU B 52 -12.902 -8.209 10.003 1.00 0.00 C ATOM 878 O LEU B 52 -14.069 -7.829 9.898 1.00 0.00 O ATOM 879 CB LEU B 52 -11.379 -9.693 8.685 1.00 0.00 C ATOM 880 CG LEU B 52 -12.365 -10.854 8.550 1.00 0.00 C ATOM 881 CD1 LEU B 52 -13.139 -10.748 7.245 1.00 0.00 C ATOM 882 CD2 LEU B 52 -11.634 -12.186 8.633 1.00 0.00 C ATOM 0 HA LEU B 52 -12.598 -8.111 7.890 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -10.705 -9.714 7.829 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -10.771 -9.860 9.574 1.00 0.00 H new ATOM 0 HG LEU B 52 -13.076 -10.800 9.375 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -13.836 -11.583 7.166 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -13.693 -9.810 7.226 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -12.443 -10.776 6.406 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -12.351 -13.001 8.535 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -10.901 -12.249 7.829 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -11.126 -12.263 9.594 1.00 0.00 H new ATOM 894 N ILE B 53 -12.358 -8.562 11.162 1.00 0.00 N ATOM 895 CA ILE B 53 -13.117 -8.521 12.406 1.00 0.00 C ATOM 896 C ILE B 53 -13.737 -7.146 12.627 1.00 0.00 C ATOM 897 O ILE B 53 -14.921 -7.030 12.940 1.00 0.00 O ATOM 898 CB ILE B 53 -12.232 -8.873 13.617 1.00 0.00 C ATOM 899 CG1 ILE B 53 -11.561 -10.232 13.408 1.00 0.00 C ATOM 900 CG2 ILE B 53 -13.060 -8.876 14.894 1.00 0.00 C ATOM 901 CD1 ILE B 53 -12.523 -11.398 13.476 1.00 0.00 C ATOM 0 H ILE B 53 -11.394 -8.880 11.266 1.00 0.00 H new ATOM 0 HA ILE B 53 -13.909 -9.264 12.317 1.00 0.00 H new ATOM 0 HB ILE B 53 -11.454 -8.116 13.713 1.00 0.00 H new ATOM 0 HG12 ILE B 53 -11.064 -10.237 12.438 1.00 0.00 H new ATOM 0 HG13 ILE B 53 -10.787 -10.366 14.163 1.00 0.00 H new ATOM 0 HG21 ILE B 53 -12.421 -9.126 15.741 1.00 0.00 H new ATOM 0 HG22 ILE B 53 -13.496 -7.889 15.047 1.00 0.00 H new ATOM 0 HG23 ILE B 53 -13.857 -9.615 14.809 1.00 0.00 H new ATOM 0 HD11 ILE B 53 -11.978 -12.329 13.319 1.00 0.00 H new ATOM 0 HD12 ILE B 53 -13.002 -11.418 14.455 1.00 0.00 H new ATOM 0 HD13 ILE B 53 -13.283 -11.288 12.703 1.00 0.00 H new ATOM 913 N ALA B 54 -12.928 -6.104 12.459 1.00 0.00 N ATOM 914 CA ALA B 54 -13.398 -4.736 12.635 1.00 0.00 C ATOM 915 C ALA B 54 -14.677 -4.488 11.843 1.00 0.00 C ATOM 916 O ALA B 54 -15.719 -4.168 12.413 1.00 0.00 O ATOM 917 CB ALA B 54 -12.317 -3.749 12.219 1.00 0.00 C ATOM 0 H ALA B 54 -11.944 -6.182 12.201 1.00 0.00 H new ATOM 0 HA ALA B 54 -13.622 -4.588 13.691 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -12.682 -2.731 12.356 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -11.429 -3.902 12.833 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -12.065 -3.906 11.170 1.00 0.00 H new ATOM 923 N ALA B 55 -14.589 -4.637 10.525 1.00 0.00 N ATOM 924 CA ALA B 55 -15.740 -4.430 9.655 1.00 0.00 C ATOM 925 C ALA B 55 -16.947 -5.224 10.143 1.00 0.00 C ATOM 926 O ALA B 55 -18.087 -4.778 10.017 1.00 0.00 O ATOM 927 CB ALA B 55 -15.396 -4.817 8.224 1.00 0.00 C ATOM 0 H ALA B 55 -13.733 -4.900 10.037 1.00 0.00 H new ATOM 0 HA ALA B 55 -15.999 -3.372 9.682 1.00 0.00 H new ATOM 0 HB1 ALA B 55 -16.265 -4.657 7.585 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -14.568 -4.203 7.870 1.00 0.00 H new ATOM 0 HB3 ALA B 55 -15.109 -5.868 8.190 1.00 0.00 H new ATOM 933 N GLY B 56 -16.689 -6.403 10.701 1.00 0.00 N ATOM 934 CA GLY B 56 -17.765 -7.239 11.199 1.00 0.00 C ATOM 935 C GLY B 56 -18.580 -6.554 12.278 1.00 0.00 C ATOM 936 O GLY B 56 -19.794 -6.399 12.145 1.00 0.00 O ATOM 0 H GLY B 56 -15.754 -6.794 10.817 1.00 0.00 H new ATOM 0 HA2 GLY B 56 -18.420 -7.513 10.372 1.00 0.00 H new ATOM 0 HA3 GLY B 56 -17.348 -8.165 11.596 1.00 0.00 H new ATOM 940 N VAL B 57 -17.912 -6.144 13.352 1.00 0.00 N ATOM 941 CA VAL B 57 -18.582 -5.473 14.459 1.00 0.00 C ATOM 942 C VAL B 57 -19.182 -4.144 14.013 1.00 0.00 C ATOM 943 O VAL B 57 -20.259 -3.755 14.465 1.00 0.00 O ATOM 944 CB VAL B 57 -17.614 -5.219 15.630 1.00 0.00 C ATOM 945 CG1 VAL B 57 -18.369 -4.698 16.843 1.00 0.00 C ATOM 946 CG2 VAL B 57 -16.849 -6.489 15.973 1.00 0.00 C ATOM 0 H VAL B 57 -16.907 -6.265 13.478 1.00 0.00 H new ATOM 0 HA VAL B 57 -19.380 -6.135 14.794 1.00 0.00 H new ATOM 0 HB VAL B 57 -16.894 -4.459 15.326 1.00 0.00 H new ATOM 0 HG11 VAL B 57 -17.669 -4.524 17.660 1.00 0.00 H new ATOM 0 HG12 VAL B 57 -18.867 -3.763 16.587 1.00 0.00 H new ATOM 0 HG13 VAL B 57 -19.112 -5.433 17.152 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -16.170 -6.292 16.802 1.00 0.00 H new ATOM 0 HG22 VAL B 57 -17.552 -7.272 16.258 1.00 0.00 H new ATOM 0 HG23 VAL B 57 -16.276 -6.815 15.105 1.00 0.00 H new ATOM 956 N ILE B 58 -18.477 -3.451 13.124 1.00 0.00 N ATOM 957 CA ILE B 58 -18.941 -2.166 12.617 1.00 0.00 C ATOM 958 C ILE B 58 -20.221 -2.326 11.804 1.00 0.00 C ATOM 959 O ILE B 58 -21.186 -1.587 11.993 1.00 0.00 O ATOM 960 CB ILE B 58 -17.872 -1.488 11.740 1.00 0.00 C ATOM 961 CG1 ILE B 58 -16.637 -1.147 12.577 1.00 0.00 C ATOM 962 CG2 ILE B 58 -18.438 -0.236 11.087 1.00 0.00 C ATOM 963 CD1 ILE B 58 -15.493 -0.583 11.764 1.00 0.00 C ATOM 0 H ILE B 58 -17.583 -3.758 12.741 1.00 0.00 H new ATOM 0 HA ILE B 58 -19.140 -1.538 13.485 1.00 0.00 H new ATOM 0 HB ILE B 58 -17.575 -2.181 10.953 1.00 0.00 H new ATOM 0 HG12 ILE B 58 -16.916 -0.426 13.345 1.00 0.00 H new ATOM 0 HG13 ILE B 58 -16.298 -2.046 13.092 1.00 0.00 H new ATOM 0 HG21 ILE B 58 -17.670 0.232 10.471 1.00 0.00 H new ATOM 0 HG22 ILE B 58 -19.290 -0.505 10.463 1.00 0.00 H new ATOM 0 HG23 ILE B 58 -18.759 0.463 11.859 1.00 0.00 H new ATOM 0 HD11 ILE B 58 -14.652 -0.365 12.422 1.00 0.00 H new ATOM 0 HD12 ILE B 58 -15.187 -1.311 11.013 1.00 0.00 H new ATOM 0 HD13 ILE B 58 -15.815 0.334 11.270 1.00 0.00 H new ATOM 975 N GLY B 59 -20.223 -3.299 10.897 1.00 0.00 N ATOM 976 CA GLY B 59 -21.391 -3.541 10.070 1.00 0.00 C ATOM 977 C GLY B 59 -22.634 -3.824 10.890 1.00 0.00 C ATOM 978 O GLY B 59 -23.674 -3.200 10.688 1.00 0.00 O ATOM 0 H GLY B 59 -19.436 -3.924 10.720 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -21.569 -2.673 9.435 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -21.196 -4.385 9.409 1.00 0.00 H new ATOM 982 N GLY B 60 -22.526 -4.771 11.818 1.00 0.00 N ATOM 983 CA GLY B 60 -23.658 -5.120 12.655 1.00 0.00 C ATOM 984 C GLY B 60 -24.190 -3.935 13.436 1.00 0.00 C ATOM 985 O GLY B 60 -25.402 -3.750 13.550 1.00 0.00 O ATOM 0 H GLY B 60 -21.675 -5.302 12.004 1.00 0.00 H new ATOM 0 HA2 GLY B 60 -24.454 -5.527 12.032 1.00 0.00 H new ATOM 0 HA3 GLY B 60 -23.363 -5.906 13.350 1.00 0.00 H new ATOM 989 N LEU B 61 -23.282 -3.130 13.977 1.00 0.00 N ATOM 990 CA LEU B 61 -23.666 -1.956 14.753 1.00 0.00 C ATOM 991 C LEU B 61 -24.306 -0.898 13.860 1.00 0.00 C ATOM 992 O LEU B 61 -25.457 -0.511 14.064 1.00 0.00 O ATOM 993 CB LEU B 61 -22.445 -1.369 15.464 1.00 0.00 C ATOM 994 CG LEU B 61 -21.969 -2.118 16.709 1.00 0.00 C ATOM 995 CD1 LEU B 61 -20.681 -1.508 17.240 1.00 0.00 C ATOM 996 CD2 LEU B 61 -23.048 -2.110 17.782 1.00 0.00 C ATOM 0 H LEU B 61 -22.275 -3.269 13.893 1.00 0.00 H new ATOM 0 HA LEU B 61 -24.398 -2.267 15.498 1.00 0.00 H new ATOM 0 HB2 LEU B 61 -21.620 -1.327 14.752 1.00 0.00 H new ATOM 0 HB3 LEU B 61 -22.674 -0.342 15.748 1.00 0.00 H new ATOM 0 HG LEU B 61 -21.769 -3.153 16.432 1.00 0.00 H new ATOM 0 HD11 LEU B 61 -20.358 -2.054 18.126 1.00 0.00 H new ATOM 0 HD12 LEU B 61 -19.907 -1.568 16.474 1.00 0.00 H new ATOM 0 HD13 LEU B 61 -20.853 -0.464 17.501 1.00 0.00 H new ATOM 0 HD21 LEU B 61 -22.691 -2.648 18.661 1.00 0.00 H new ATOM 0 HD22 LEU B 61 -23.281 -1.081 18.056 1.00 0.00 H new ATOM 0 HD23 LEU B 61 -23.946 -2.596 17.399 1.00 0.00 H new ATOM 1008 N PHE B 62 -23.553 -0.435 12.868 1.00 0.00 N ATOM 1009 CA PHE B 62 -24.047 0.578 11.942 1.00 0.00 C ATOM 1010 C PHE B 62 -25.396 0.169 11.358 1.00 0.00 C ATOM 1011 O PHE B 62 -26.383 0.896 11.480 1.00 0.00 O ATOM 1012 CB PHE B 62 -23.038 0.804 10.814 1.00 0.00 C ATOM 1013 CG PHE B 62 -23.287 2.060 10.029 1.00 0.00 C ATOM 1014 CD1 PHE B 62 -23.569 3.252 10.676 1.00 0.00 C ATOM 1015 CD2 PHE B 62 -23.240 2.048 8.644 1.00 0.00 C ATOM 1016 CE1 PHE B 62 -23.800 4.409 9.955 1.00 0.00 C ATOM 1017 CE2 PHE B 62 -23.470 3.202 7.919 1.00 0.00 C ATOM 1018 CZ PHE B 62 -23.749 4.384 8.575 1.00 0.00 C ATOM 0 H PHE B 62 -22.599 -0.745 12.684 1.00 0.00 H new ATOM 0 HA PHE B 62 -24.177 1.508 12.496 1.00 0.00 H new ATOM 0 HB2 PHE B 62 -22.034 0.843 11.238 1.00 0.00 H new ATOM 0 HB3 PHE B 62 -23.065 -0.050 10.137 1.00 0.00 H new ATOM 0 HD1 PHE B 62 -23.609 3.278 11.755 1.00 0.00 H new ATOM 0 HD2 PHE B 62 -23.021 1.126 8.125 1.00 0.00 H new ATOM 0 HE1 PHE B 62 -24.020 5.332 10.471 1.00 0.00 H new ATOM 0 HE2 PHE B 62 -23.431 3.179 6.840 1.00 0.00 H new ATOM 0 HZ PHE B 62 -23.927 5.287 8.010 1.00 0.00 H new ATOM 1028 N ILE B 63 -25.430 -0.998 10.723 1.00 0.00 N ATOM 1029 CA ILE B 63 -26.657 -1.503 10.121 1.00 0.00 C ATOM 1030 C ILE B 63 -27.803 -1.504 11.126 1.00 0.00 C ATOM 1031 O ILE B 63 -28.936 -1.152 10.793 1.00 0.00 O ATOM 1032 CB ILE B 63 -26.469 -2.930 9.573 1.00 0.00 C ATOM 1033 CG1 ILE B 63 -25.477 -2.926 8.407 1.00 0.00 C ATOM 1034 CG2 ILE B 63 -27.805 -3.511 9.136 1.00 0.00 C ATOM 1035 CD1 ILE B 63 -25.984 -2.192 7.186 1.00 0.00 C ATOM 0 H ILE B 63 -24.622 -1.611 10.612 1.00 0.00 H new ATOM 0 HA ILE B 63 -26.902 -0.834 9.296 1.00 0.00 H new ATOM 0 HB ILE B 63 -26.065 -3.557 10.368 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -24.544 -2.467 8.735 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -25.247 -3.955 8.133 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -27.655 -4.520 8.751 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -28.483 -3.545 9.989 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -28.236 -2.885 8.355 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -25.230 -2.229 6.400 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -26.901 -2.664 6.832 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -26.187 -1.153 7.445 1.00 0.00 H new ATOM 1047 N LEU B 64 -27.502 -1.900 12.358 1.00 0.00 N ATOM 1048 CA LEU B 64 -28.507 -1.945 13.414 1.00 0.00 C ATOM 1049 C LEU B 64 -28.965 -0.539 13.791 1.00 0.00 C ATOM 1050 O LEU B 64 -30.141 -0.313 14.076 1.00 0.00 O ATOM 1051 CB LEU B 64 -27.949 -2.658 14.647 1.00 0.00 C ATOM 1052 CG LEU B 64 -28.048 -4.184 14.641 1.00 0.00 C ATOM 1053 CD1 LEU B 64 -27.175 -4.780 15.734 1.00 0.00 C ATOM 1054 CD2 LEU B 64 -29.494 -4.625 14.811 1.00 0.00 C ATOM 0 H LEU B 64 -26.570 -2.194 12.650 1.00 0.00 H new ATOM 0 HA LEU B 64 -29.367 -2.500 13.039 1.00 0.00 H new ATOM 0 HB2 LEU B 64 -26.900 -2.382 14.758 1.00 0.00 H new ATOM 0 HB3 LEU B 64 -28.472 -2.283 15.527 1.00 0.00 H new ATOM 0 HG LEU B 64 -27.689 -4.548 13.679 1.00 0.00 H new ATOM 0 HD11 LEU B 64 -27.258 -5.867 15.714 1.00 0.00 H new ATOM 0 HD12 LEU B 64 -26.137 -4.493 15.568 1.00 0.00 H new ATOM 0 HD13 LEU B 64 -27.503 -4.409 16.705 1.00 0.00 H new ATOM 0 HD21 LEU B 64 -29.546 -5.714 14.804 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -29.880 -4.249 15.759 1.00 0.00 H new ATOM 0 HD23 LEU B 64 -30.094 -4.228 13.992 1.00 0.00 H new ATOM 1066 N VAL B 65 -28.028 0.404 13.787 1.00 0.00 N ATOM 1067 CA VAL B 65 -28.335 1.789 14.124 1.00 0.00 C ATOM 1068 C VAL B 65 -29.412 2.352 13.205 1.00 0.00 C ATOM 1069 O VAL B 65 -30.371 2.975 13.663 1.00 0.00 O ATOM 1070 CB VAL B 65 -27.082 2.679 14.035 1.00 0.00 C ATOM 1071 CG1 VAL B 65 -27.434 4.129 14.331 1.00 0.00 C ATOM 1072 CG2 VAL B 65 -26.004 2.179 14.985 1.00 0.00 C ATOM 0 H VAL B 65 -27.050 0.234 13.554 1.00 0.00 H new ATOM 0 HA VAL B 65 -28.701 1.792 15.151 1.00 0.00 H new ATOM 0 HB VAL B 65 -26.692 2.625 13.019 1.00 0.00 H new ATOM 0 HG11 VAL B 65 -26.536 4.743 14.263 1.00 0.00 H new ATOM 0 HG12 VAL B 65 -28.169 4.480 13.607 1.00 0.00 H new ATOM 0 HG13 VAL B 65 -27.850 4.205 15.336 1.00 0.00 H new ATOM 0 HG21 VAL B 65 -25.126 2.820 14.909 1.00 0.00 H new ATOM 0 HG22 VAL B 65 -26.381 2.201 16.007 1.00 0.00 H new ATOM 0 HG23 VAL B 65 -25.731 1.157 14.721 1.00 0.00 H new ATOM 1082 N ILE B 66 -29.249 2.130 11.905 1.00 0.00 N ATOM 1083 CA ILE B 66 -30.208 2.614 10.921 1.00 0.00 C ATOM 1084 C ILE B 66 -31.564 1.938 11.095 1.00 0.00 C ATOM 1085 O ILE B 66 -32.583 2.603 11.281 1.00 0.00 O ATOM 1086 CB ILE B 66 -29.709 2.377 9.483 1.00 0.00 C ATOM 1087 CG1 ILE B 66 -28.322 2.994 9.293 1.00 0.00 C ATOM 1088 CG2 ILE B 66 -30.694 2.955 8.478 1.00 0.00 C ATOM 1089 CD1 ILE B 66 -27.258 1.985 8.922 1.00 0.00 C ATOM 0 H ILE B 66 -28.461 1.618 11.509 1.00 0.00 H new ATOM 0 HA ILE B 66 -30.315 3.686 11.087 1.00 0.00 H new ATOM 0 HB ILE B 66 -29.635 1.303 9.313 1.00 0.00 H new ATOM 0 HG12 ILE B 66 -28.376 3.756 8.516 1.00 0.00 H new ATOM 0 HG13 ILE B 66 -28.028 3.498 10.214 1.00 0.00 H new ATOM 0 HG21 ILE B 66 -30.327 2.779 7.467 1.00 0.00 H new ATOM 0 HG22 ILE B 66 -31.664 2.473 8.601 1.00 0.00 H new ATOM 0 HG23 ILE B 66 -30.798 4.027 8.645 1.00 0.00 H new ATOM 0 HD11 ILE B 66 -26.301 2.493 8.803 1.00 0.00 H new ATOM 0 HD12 ILE B 66 -27.176 1.236 9.710 1.00 0.00 H new ATOM 0 HD13 ILE B 66 -27.529 1.498 7.985 1.00 0.00 H new ATOM 1101 N VAL B 67 -31.568 0.610 11.035 1.00 0.00 N ATOM 1102 CA VAL B 67 -32.798 -0.159 11.189 1.00 0.00 C ATOM 1103 C VAL B 67 -33.520 0.212 12.479 1.00 0.00 C ATOM 1104 O VAL B 67 -34.699 0.563 12.464 1.00 0.00 O ATOM 1105 CB VAL B 67 -32.517 -1.673 11.187 1.00 0.00 C ATOM 1106 CG1 VAL B 67 -33.820 -2.458 11.224 1.00 0.00 C ATOM 1107 CG2 VAL B 67 -31.686 -2.060 9.973 1.00 0.00 C ATOM 0 H VAL B 67 -30.733 0.044 10.881 1.00 0.00 H new ATOM 0 HA VAL B 67 -33.433 0.086 10.338 1.00 0.00 H new ATOM 0 HB VAL B 67 -31.946 -1.920 12.082 1.00 0.00 H new ATOM 0 HG11 VAL B 67 -33.602 -3.526 11.222 1.00 0.00 H new ATOM 0 HG12 VAL B 67 -34.373 -2.202 12.128 1.00 0.00 H new ATOM 0 HG13 VAL B 67 -34.420 -2.209 10.349 1.00 0.00 H new ATOM 0 HG21 VAL B 67 -31.497 -3.133 9.988 1.00 0.00 H new ATOM 0 HG22 VAL B 67 -32.227 -1.800 9.063 1.00 0.00 H new ATOM 0 HG23 VAL B 67 -30.737 -1.524 9.996 1.00 0.00 H new