USER MOD reduce.3.24.130724 H: found=0, std=0, add=366, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 368 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 20 THR OG1 : rot 76:sc= -1.13 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 20 THR OG1 : rot 170:sc= -3.14! USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 76 N GLY A 7 37.400 9.169 8.613 1.00 0.00 N ATOM 77 CA GLY A 7 37.412 9.685 7.250 1.00 0.00 C ATOM 78 C GLY A 7 38.768 9.449 6.599 1.00 0.00 C ATOM 79 O GLY A 7 38.879 8.689 5.633 1.00 0.00 O ATOM 0 HA2 GLY A 7 36.632 9.198 6.664 1.00 0.00 H new ATOM 0 HA3 GLY A 7 37.187 10.751 7.257 1.00 0.00 H new ATOM 83 N VAL A 8 39.804 10.081 7.138 1.00 0.00 N ATOM 84 CA VAL A 8 41.140 9.900 6.593 1.00 0.00 C ATOM 85 C VAL A 8 41.567 8.446 6.783 1.00 0.00 C ATOM 86 O VAL A 8 42.062 7.812 5.853 1.00 0.00 O ATOM 87 CB VAL A 8 42.132 10.860 7.267 1.00 0.00 C ATOM 88 CG1 VAL A 8 42.123 10.663 8.794 1.00 0.00 C ATOM 89 CG2 VAL A 8 43.539 10.597 6.715 1.00 0.00 C ATOM 0 H VAL A 8 39.746 10.712 7.937 1.00 0.00 H new ATOM 0 HA VAL A 8 41.132 10.130 5.528 1.00 0.00 H new ATOM 0 HB VAL A 8 41.837 11.887 7.052 1.00 0.00 H new ATOM 0 HG11 VAL A 8 42.832 11.352 9.254 1.00 0.00 H new ATOM 0 HG12 VAL A 8 41.123 10.860 9.180 1.00 0.00 H new ATOM 0 HG13 VAL A 8 42.408 9.638 9.030 1.00 0.00 H new ATOM 0 HG21 VAL A 8 44.249 11.275 7.189 1.00 0.00 H new ATOM 0 HG22 VAL A 8 43.826 9.567 6.925 1.00 0.00 H new ATOM 0 HG23 VAL A 8 43.544 10.762 5.638 1.00 0.00 H new ATOM 99 N LEU A 9 41.331 7.912 7.982 1.00 0.00 N ATOM 100 CA LEU A 9 41.661 6.520 8.275 1.00 0.00 C ATOM 101 C LEU A 9 41.060 5.611 7.191 1.00 0.00 C ATOM 102 O LEU A 9 41.752 4.760 6.614 1.00 0.00 O ATOM 103 CB LEU A 9 41.084 6.151 9.660 1.00 0.00 C ATOM 104 CG LEU A 9 42.135 6.325 10.781 1.00 0.00 C ATOM 105 CD1 LEU A 9 43.319 5.339 10.602 1.00 0.00 C ATOM 106 CD2 LEU A 9 42.648 7.773 10.781 1.00 0.00 C ATOM 0 H LEU A 9 40.914 8.421 8.762 1.00 0.00 H new ATOM 0 HA LEU A 9 42.743 6.386 8.285 1.00 0.00 H new ATOM 0 HB2 LEU A 9 40.218 6.778 9.872 1.00 0.00 H new ATOM 0 HB3 LEU A 9 40.734 5.119 9.646 1.00 0.00 H new ATOM 0 HG LEU A 9 41.660 6.104 11.737 1.00 0.00 H new ATOM 0 HD11 LEU A 9 44.040 5.487 11.406 1.00 0.00 H new ATOM 0 HD12 LEU A 9 42.947 4.315 10.632 1.00 0.00 H new ATOM 0 HD13 LEU A 9 43.803 5.522 9.642 1.00 0.00 H new ATOM 0 HD21 LEU A 9 43.389 7.897 11.571 1.00 0.00 H new ATOM 0 HD22 LEU A 9 43.105 7.997 9.817 1.00 0.00 H new ATOM 0 HD23 LEU A 9 41.815 8.454 10.955 1.00 0.00 H new ATOM 118 N ALA A 10 39.768 5.809 6.904 1.00 0.00 N ATOM 119 CA ALA A 10 39.099 5.014 5.879 1.00 0.00 C ATOM 120 C ALA A 10 39.839 5.170 4.559 1.00 0.00 C ATOM 121 O ALA A 10 39.992 4.225 3.780 1.00 0.00 O ATOM 122 CB ALA A 10 37.651 5.479 5.710 1.00 0.00 C ATOM 0 H ALA A 10 39.176 6.503 7.361 1.00 0.00 H new ATOM 0 HA ALA A 10 39.101 3.967 6.183 1.00 0.00 H new ATOM 0 HB1 ALA A 10 37.163 4.878 4.943 1.00 0.00 H new ATOM 0 HB2 ALA A 10 37.119 5.363 6.654 1.00 0.00 H new ATOM 0 HB3 ALA A 10 37.638 6.528 5.413 1.00 0.00 H new ATOM 128 N GLY A 11 40.312 6.380 4.326 1.00 0.00 N ATOM 129 CA GLY A 11 41.048 6.675 3.105 1.00 0.00 C ATOM 130 C GLY A 11 42.294 5.805 3.010 1.00 0.00 C ATOM 131 O GLY A 11 42.664 5.336 1.930 1.00 0.00 O ATOM 0 H GLY A 11 40.202 7.172 4.960 1.00 0.00 H new ATOM 0 HA2 GLY A 11 40.410 6.503 2.238 1.00 0.00 H new ATOM 0 HA3 GLY A 11 41.330 7.728 3.089 1.00 0.00 H new ATOM 135 N ILE A 12 42.941 5.590 4.146 1.00 0.00 N ATOM 136 CA ILE A 12 44.142 4.778 4.163 1.00 0.00 C ATOM 137 C ILE A 12 43.809 3.327 3.811 1.00 0.00 C ATOM 138 O ILE A 12 44.525 2.714 3.028 1.00 0.00 O ATOM 139 CB ILE A 12 44.845 4.872 5.536 1.00 0.00 C ATOM 140 CG1 ILE A 12 45.696 6.162 5.618 1.00 0.00 C ATOM 141 CG2 ILE A 12 45.764 3.657 5.747 1.00 0.00 C ATOM 142 CD1 ILE A 12 44.794 7.385 5.777 1.00 0.00 C ATOM 0 H ILE A 12 42.658 5.961 5.053 1.00 0.00 H new ATOM 0 HA ILE A 12 44.831 5.160 3.409 1.00 0.00 H new ATOM 0 HB ILE A 12 44.078 4.891 6.310 1.00 0.00 H new ATOM 0 HG12 ILE A 12 46.385 6.098 6.460 1.00 0.00 H new ATOM 0 HG13 ILE A 12 46.302 6.264 4.718 1.00 0.00 H new ATOM 0 HG21 ILE A 12 46.253 3.735 6.718 1.00 0.00 H new ATOM 0 HG22 ILE A 12 45.172 2.742 5.712 1.00 0.00 H new ATOM 0 HG23 ILE A 12 46.519 3.631 4.961 1.00 0.00 H new ATOM 0 HD11 ILE A 12 45.407 8.284 5.833 1.00 0.00 H new ATOM 0 HD12 ILE A 12 44.123 7.456 4.921 1.00 0.00 H new ATOM 0 HD13 ILE A 12 44.207 7.288 6.691 1.00 0.00 H new ATOM 154 N VAL A 13 42.733 2.767 4.373 1.00 0.00 N ATOM 155 CA VAL A 13 42.409 1.375 4.036 1.00 0.00 C ATOM 156 C VAL A 13 42.290 1.255 2.519 1.00 0.00 C ATOM 157 O VAL A 13 42.809 0.312 1.915 1.00 0.00 O ATOM 158 CB VAL A 13 41.127 0.846 4.747 1.00 0.00 C ATOM 159 CG1 VAL A 13 40.897 1.591 6.059 1.00 0.00 C ATOM 160 CG2 VAL A 13 39.880 0.992 3.856 1.00 0.00 C ATOM 0 H VAL A 13 42.101 3.225 5.029 1.00 0.00 H new ATOM 0 HA VAL A 13 43.219 0.744 4.403 1.00 0.00 H new ATOM 0 HB VAL A 13 41.286 -0.213 4.948 1.00 0.00 H new ATOM 0 HG11 VAL A 13 39.998 1.209 6.542 1.00 0.00 H new ATOM 0 HG12 VAL A 13 41.753 1.442 6.717 1.00 0.00 H new ATOM 0 HG13 VAL A 13 40.776 2.655 5.857 1.00 0.00 H new ATOM 0 HG21 VAL A 13 39.007 0.612 4.387 1.00 0.00 H new ATOM 0 HG22 VAL A 13 39.728 2.044 3.613 1.00 0.00 H new ATOM 0 HG23 VAL A 13 40.021 0.424 2.937 1.00 0.00 H new ATOM 170 N VAL A 14 41.638 2.233 1.893 1.00 0.00 N ATOM 171 CA VAL A 14 41.523 2.204 0.441 1.00 0.00 C ATOM 172 C VAL A 14 42.928 2.104 -0.142 1.00 0.00 C ATOM 173 O VAL A 14 43.183 1.339 -1.076 1.00 0.00 O ATOM 174 CB VAL A 14 40.829 3.468 -0.071 1.00 0.00 C ATOM 175 CG1 VAL A 14 40.760 3.434 -1.599 1.00 0.00 C ATOM 176 CG2 VAL A 14 39.411 3.536 0.500 1.00 0.00 C ATOM 0 H VAL A 14 41.196 3.029 2.352 1.00 0.00 H new ATOM 0 HA VAL A 14 40.923 1.348 0.134 1.00 0.00 H new ATOM 0 HB VAL A 14 41.394 4.344 0.246 1.00 0.00 H new ATOM 0 HG11 VAL A 14 40.265 4.335 -1.961 1.00 0.00 H new ATOM 0 HG12 VAL A 14 41.769 3.385 -2.008 1.00 0.00 H new ATOM 0 HG13 VAL A 14 40.196 2.558 -1.918 1.00 0.00 H new ATOM 0 HG21 VAL A 14 38.915 4.436 0.136 1.00 0.00 H new ATOM 0 HG22 VAL A 14 38.848 2.658 0.182 1.00 0.00 H new ATOM 0 HG23 VAL A 14 39.458 3.562 1.589 1.00 0.00 H new ATOM 186 N GLY A 15 43.842 2.875 0.443 1.00 0.00 N ATOM 187 CA GLY A 15 45.233 2.865 0.004 1.00 0.00 C ATOM 188 C GLY A 15 45.865 1.486 0.205 1.00 0.00 C ATOM 189 O GLY A 15 46.723 1.075 -0.570 1.00 0.00 O ATOM 0 H GLY A 15 43.645 3.510 1.217 1.00 0.00 H new ATOM 0 HA2 GLY A 15 45.287 3.143 -1.048 1.00 0.00 H new ATOM 0 HA3 GLY A 15 45.799 3.612 0.561 1.00 0.00 H new ATOM 193 N ASP A 16 45.438 0.778 1.252 1.00 0.00 N ATOM 194 CA ASP A 16 45.975 -0.550 1.536 1.00 0.00 C ATOM 195 C ASP A 16 45.685 -1.491 0.379 1.00 0.00 C ATOM 196 O ASP A 16 46.581 -2.173 -0.120 1.00 0.00 O ATOM 197 CB ASP A 16 45.362 -1.112 2.821 1.00 0.00 C ATOM 198 CG ASP A 16 46.018 -2.441 3.176 1.00 0.00 C ATOM 199 OD1 ASP A 16 45.964 -3.343 2.355 1.00 0.00 O ATOM 200 OD2 ASP A 16 46.562 -2.540 4.263 1.00 0.00 O ATOM 0 H ASP A 16 44.729 1.100 1.911 1.00 0.00 H new ATOM 0 HA ASP A 16 47.054 -0.463 1.667 1.00 0.00 H new ATOM 0 HB2 ASP A 16 45.495 -0.402 3.637 1.00 0.00 H new ATOM 0 HB3 ASP A 16 44.289 -1.251 2.691 1.00 0.00 H new ATOM 205 N LEU A 17 44.431 -1.516 -0.055 1.00 0.00 N ATOM 206 CA LEU A 17 44.050 -2.375 -1.169 1.00 0.00 C ATOM 207 C LEU A 17 44.826 -1.964 -2.421 1.00 0.00 C ATOM 208 O LEU A 17 45.253 -2.812 -3.207 1.00 0.00 O ATOM 209 CB LEU A 17 42.537 -2.271 -1.427 1.00 0.00 C ATOM 210 CG LEU A 17 41.779 -3.193 -0.464 1.00 0.00 C ATOM 211 CD1 LEU A 17 42.134 -2.830 0.978 1.00 0.00 C ATOM 212 CD2 LEU A 17 40.273 -3.024 -0.673 1.00 0.00 C ATOM 0 H LEU A 17 43.672 -0.961 0.340 1.00 0.00 H new ATOM 0 HA LEU A 17 44.290 -3.409 -0.921 1.00 0.00 H new ATOM 0 HB2 LEU A 17 42.206 -1.241 -1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 17 42.315 -2.546 -2.458 1.00 0.00 H new ATOM 0 HG LEU A 17 42.060 -4.228 -0.659 1.00 0.00 H new ATOM 0 HD11 LEU A 17 41.595 -3.486 1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 17 43.207 -2.950 1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 17 41.854 -1.795 1.172 1.00 0.00 H new ATOM 0 HD21 LEU A 17 39.735 -3.680 0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 17 39.993 -1.989 -0.480 1.00 0.00 H new ATOM 0 HD23 LEU A 17 40.017 -3.283 -1.700 1.00 0.00 H new ATOM 224 N VAL A 18 45.005 -0.657 -2.592 1.00 0.00 N ATOM 225 CA VAL A 18 45.733 -0.136 -3.746 1.00 0.00 C ATOM 226 C VAL A 18 47.186 -0.617 -3.741 1.00 0.00 C ATOM 227 O VAL A 18 47.725 -0.966 -4.783 1.00 0.00 O ATOM 228 CB VAL A 18 45.692 1.396 -3.739 1.00 0.00 C ATOM 229 CG1 VAL A 18 46.598 1.946 -4.845 1.00 0.00 C ATOM 230 CG2 VAL A 18 44.254 1.869 -3.981 1.00 0.00 C ATOM 0 H VAL A 18 44.659 0.057 -1.951 1.00 0.00 H new ATOM 0 HA VAL A 18 45.252 -0.509 -4.651 1.00 0.00 H new ATOM 0 HB VAL A 18 46.042 1.759 -2.772 1.00 0.00 H new ATOM 0 HG11 VAL A 18 46.564 3.035 -4.835 1.00 0.00 H new ATOM 0 HG12 VAL A 18 47.622 1.613 -4.676 1.00 0.00 H new ATOM 0 HG13 VAL A 18 46.253 1.582 -5.813 1.00 0.00 H new ATOM 0 HG21 VAL A 18 44.224 2.959 -3.976 1.00 0.00 H new ATOM 0 HG22 VAL A 18 43.907 1.501 -4.947 1.00 0.00 H new ATOM 0 HG23 VAL A 18 43.607 1.485 -3.193 1.00 0.00 H new ATOM 240 N LEU A 19 47.814 -0.621 -2.570 1.00 0.00 N ATOM 241 CA LEU A 19 49.208 -1.055 -2.456 1.00 0.00 C ATOM 242 C LEU A 19 49.348 -2.538 -2.785 1.00 0.00 C ATOM 243 O LEU A 19 50.266 -2.940 -3.498 1.00 0.00 O ATOM 244 CB LEU A 19 49.711 -0.818 -1.029 1.00 0.00 C ATOM 245 CG LEU A 19 49.848 0.690 -0.755 1.00 0.00 C ATOM 246 CD1 LEU A 19 49.862 0.931 0.759 1.00 0.00 C ATOM 247 CD2 LEU A 19 51.150 1.236 -1.370 1.00 0.00 C ATOM 0 H LEU A 19 47.387 -0.331 -1.690 1.00 0.00 H new ATOM 0 HA LEU A 19 49.799 -0.476 -3.165 1.00 0.00 H new ATOM 0 HB2 LEU A 19 49.019 -1.263 -0.314 1.00 0.00 H new ATOM 0 HB3 LEU A 19 50.674 -1.309 -0.889 1.00 0.00 H new ATOM 0 HG LEU A 19 49.002 1.207 -1.208 1.00 0.00 H new ATOM 0 HD11 LEU A 19 49.959 1.999 0.957 1.00 0.00 H new ATOM 0 HD12 LEU A 19 48.932 0.564 1.194 1.00 0.00 H new ATOM 0 HD13 LEU A 19 50.705 0.402 1.204 1.00 0.00 H new ATOM 0 HD21 LEU A 19 51.229 2.304 -1.166 1.00 0.00 H new ATOM 0 HD22 LEU A 19 52.004 0.719 -0.933 1.00 0.00 H new ATOM 0 HD23 LEU A 19 51.140 1.073 -2.448 1.00 0.00 H new ATOM 259 N THR A 20 48.445 -3.348 -2.250 1.00 0.00 N ATOM 260 CA THR A 20 48.497 -4.786 -2.484 1.00 0.00 C ATOM 261 C THR A 20 48.405 -5.107 -3.972 1.00 0.00 C ATOM 262 O THR A 20 49.226 -5.852 -4.508 1.00 0.00 O ATOM 263 CB THR A 20 47.345 -5.470 -1.743 1.00 0.00 C ATOM 264 OG1 THR A 20 47.291 -4.991 -0.406 1.00 0.00 O ATOM 265 CG2 THR A 20 47.567 -6.983 -1.737 1.00 0.00 C ATOM 0 H THR A 20 47.675 -3.039 -1.657 1.00 0.00 H new ATOM 0 HA THR A 20 49.452 -5.156 -2.111 1.00 0.00 H new ATOM 0 HB THR A 20 46.405 -5.245 -2.247 1.00 0.00 H new ATOM 0 HG1 THR A 20 46.897 -4.094 -0.396 1.00 0.00 H new ATOM 0 HG21 THR A 20 46.746 -7.469 -1.209 1.00 0.00 H new ATOM 0 HG22 THR A 20 47.606 -7.349 -2.763 1.00 0.00 H new ATOM 0 HG23 THR A 20 48.507 -7.211 -1.234 1.00 0.00 H new ATOM 273 N VAL A 21 47.396 -4.551 -4.631 1.00 0.00 N ATOM 274 CA VAL A 21 47.198 -4.799 -6.054 1.00 0.00 C ATOM 275 C VAL A 21 48.252 -4.094 -6.903 1.00 0.00 C ATOM 276 O VAL A 21 48.599 -4.560 -7.987 1.00 0.00 O ATOM 277 CB VAL A 21 45.807 -4.316 -6.472 1.00 0.00 C ATOM 278 CG1 VAL A 21 45.581 -4.622 -7.955 1.00 0.00 C ATOM 279 CG2 VAL A 21 44.744 -5.030 -5.636 1.00 0.00 C ATOM 0 H VAL A 21 46.707 -3.930 -4.207 1.00 0.00 H new ATOM 0 HA VAL A 21 47.291 -5.872 -6.220 1.00 0.00 H new ATOM 0 HB VAL A 21 45.735 -3.241 -6.309 1.00 0.00 H new ATOM 0 HG11 VAL A 21 44.590 -4.277 -8.251 1.00 0.00 H new ATOM 0 HG12 VAL A 21 46.336 -4.110 -8.551 1.00 0.00 H new ATOM 0 HG13 VAL A 21 45.656 -5.697 -8.120 1.00 0.00 H new ATOM 0 HG21 VAL A 21 43.754 -4.685 -5.935 1.00 0.00 H new ATOM 0 HG22 VAL A 21 44.817 -6.106 -5.796 1.00 0.00 H new ATOM 0 HG23 VAL A 21 44.902 -4.809 -4.580 1.00 0.00 H new ATOM 289 N LEU A 22 48.738 -2.957 -6.422 1.00 0.00 N ATOM 290 CA LEU A 22 49.728 -2.189 -7.168 1.00 0.00 C ATOM 291 C LEU A 22 51.070 -2.907 -7.227 1.00 0.00 C ATOM 292 O LEU A 22 51.622 -3.098 -8.311 1.00 0.00 O ATOM 293 CB LEU A 22 49.896 -0.802 -6.531 1.00 0.00 C ATOM 294 CG LEU A 22 51.024 -0.016 -7.218 1.00 0.00 C ATOM 295 CD1 LEU A 22 50.773 0.053 -8.731 1.00 0.00 C ATOM 296 CD2 LEU A 22 51.064 1.405 -6.643 1.00 0.00 C ATOM 0 H LEU A 22 48.467 -2.549 -5.528 1.00 0.00 H new ATOM 0 HA LEU A 22 49.369 -2.080 -8.191 1.00 0.00 H new ATOM 0 HB2 LEU A 22 48.961 -0.247 -6.608 1.00 0.00 H new ATOM 0 HB3 LEU A 22 50.117 -0.909 -5.469 1.00 0.00 H new ATOM 0 HG LEU A 22 51.975 -0.518 -7.040 1.00 0.00 H new ATOM 0 HD11 LEU A 22 51.578 0.612 -9.208 1.00 0.00 H new ATOM 0 HD12 LEU A 22 50.740 -0.957 -9.141 1.00 0.00 H new ATOM 0 HD13 LEU A 22 49.823 0.553 -8.920 1.00 0.00 H new ATOM 0 HD21 LEU A 22 51.862 1.970 -7.125 1.00 0.00 H new ATOM 0 HD22 LEU A 22 50.109 1.898 -6.825 1.00 0.00 H new ATOM 0 HD23 LEU A 22 51.250 1.358 -5.570 1.00 0.00 H new ATOM 308 N ILE A 23 51.607 -3.305 -6.076 1.00 0.00 N ATOM 309 CA ILE A 23 52.887 -3.991 -6.078 1.00 0.00 C ATOM 310 C ILE A 23 52.713 -5.376 -6.684 1.00 0.00 C ATOM 311 O ILE A 23 53.537 -5.824 -7.458 1.00 0.00 O ATOM 312 CB ILE A 23 53.470 -4.134 -4.664 1.00 0.00 C ATOM 313 CG1 ILE A 23 53.376 -2.797 -3.887 1.00 0.00 C ATOM 314 CG2 ILE A 23 54.942 -4.600 -4.773 1.00 0.00 C ATOM 315 CD1 ILE A 23 54.508 -1.837 -4.267 1.00 0.00 C ATOM 0 H ILE A 23 51.187 -3.168 -5.157 1.00 0.00 H new ATOM 0 HA ILE A 23 53.581 -3.393 -6.668 1.00 0.00 H new ATOM 0 HB ILE A 23 52.892 -4.875 -4.111 1.00 0.00 H new ATOM 0 HG12 ILE A 23 52.415 -2.325 -4.091 1.00 0.00 H new ATOM 0 HG13 ILE A 23 53.412 -2.996 -2.816 1.00 0.00 H new ATOM 0 HG21 ILE A 23 55.365 -4.705 -3.774 1.00 0.00 H new ATOM 0 HG22 ILE A 23 54.982 -5.560 -5.287 1.00 0.00 H new ATOM 0 HG23 ILE A 23 55.516 -3.863 -5.335 1.00 0.00 H new ATOM 0 HD11 ILE A 23 54.406 -0.912 -3.700 1.00 0.00 H new ATOM 0 HD12 ILE A 23 55.469 -2.298 -4.038 1.00 0.00 H new ATOM 0 HD13 ILE A 23 54.456 -1.617 -5.333 1.00 0.00 H new ATOM 327 N ALA A 24 51.637 -6.063 -6.321 1.00 0.00 N ATOM 328 CA ALA A 24 51.407 -7.405 -6.846 1.00 0.00 C ATOM 329 C ALA A 24 51.310 -7.399 -8.368 1.00 0.00 C ATOM 330 O ALA A 24 51.866 -8.273 -9.033 1.00 0.00 O ATOM 331 CB ALA A 24 50.127 -7.994 -6.249 1.00 0.00 C ATOM 0 H ALA A 24 50.922 -5.723 -5.678 1.00 0.00 H new ATOM 0 HA ALA A 24 52.259 -8.023 -6.561 1.00 0.00 H new ATOM 0 HB1 ALA A 24 49.966 -8.995 -6.649 1.00 0.00 H new ATOM 0 HB2 ALA A 24 50.222 -8.047 -5.164 1.00 0.00 H new ATOM 0 HB3 ALA A 24 49.279 -7.360 -6.508 1.00 0.00 H new ATOM 337 N LEU A 25 50.601 -6.421 -8.920 1.00 0.00 N ATOM 338 CA LEU A 25 50.447 -6.340 -10.367 1.00 0.00 C ATOM 339 C LEU A 25 51.768 -5.951 -11.027 1.00 0.00 C ATOM 340 O LEU A 25 52.083 -6.411 -12.125 1.00 0.00 O ATOM 341 CB LEU A 25 49.361 -5.312 -10.721 1.00 0.00 C ATOM 342 CG LEU A 25 49.247 -5.146 -12.247 1.00 0.00 C ATOM 343 CD1 LEU A 25 48.994 -6.508 -12.915 1.00 0.00 C ATOM 344 CD2 LEU A 25 48.081 -4.202 -12.560 1.00 0.00 C ATOM 0 H LEU A 25 50.130 -5.683 -8.396 1.00 0.00 H new ATOM 0 HA LEU A 25 50.149 -7.320 -10.740 1.00 0.00 H new ATOM 0 HB2 LEU A 25 48.403 -5.632 -10.312 1.00 0.00 H new ATOM 0 HB3 LEU A 25 49.598 -4.352 -10.262 1.00 0.00 H new ATOM 0 HG LEU A 25 50.179 -4.733 -12.633 1.00 0.00 H new ATOM 0 HD11 LEU A 25 48.916 -6.375 -13.994 1.00 0.00 H new ATOM 0 HD12 LEU A 25 49.821 -7.182 -12.692 1.00 0.00 H new ATOM 0 HD13 LEU A 25 48.066 -6.934 -12.533 1.00 0.00 H new ATOM 0 HD21 LEU A 25 47.993 -4.078 -13.639 1.00 0.00 H new ATOM 0 HD22 LEU A 25 47.156 -4.623 -12.166 1.00 0.00 H new ATOM 0 HD23 LEU A 25 48.264 -3.232 -12.098 1.00 0.00 H new ATOM 356 N ALA A 26 52.522 -5.084 -10.360 1.00 0.00 N ATOM 357 CA ALA A 26 53.793 -4.618 -10.900 1.00 0.00 C ATOM 358 C ALA A 26 54.858 -5.714 -10.900 1.00 0.00 C ATOM 359 O ALA A 26 55.500 -5.953 -11.923 1.00 0.00 O ATOM 360 CB ALA A 26 54.297 -3.425 -10.085 1.00 0.00 C ATOM 0 H ALA A 26 52.277 -4.692 -9.451 1.00 0.00 H new ATOM 0 HA ALA A 26 53.616 -4.323 -11.934 1.00 0.00 H new ATOM 0 HB1 ALA A 26 55.247 -3.081 -10.493 1.00 0.00 H new ATOM 0 HB2 ALA A 26 53.567 -2.617 -10.134 1.00 0.00 H new ATOM 0 HB3 ALA A 26 54.436 -3.726 -9.047 1.00 0.00 H new ATOM 366 N VAL A 27 55.068 -6.367 -9.756 1.00 0.00 N ATOM 367 CA VAL A 27 56.086 -7.404 -9.675 1.00 0.00 C ATOM 368 C VAL A 27 55.689 -8.636 -10.480 1.00 0.00 C ATOM 369 O VAL A 27 56.523 -9.238 -11.157 1.00 0.00 O ATOM 370 CB VAL A 27 56.322 -7.780 -8.213 1.00 0.00 C ATOM 371 CG1 VAL A 27 56.636 -6.507 -7.417 1.00 0.00 C ATOM 372 CG2 VAL A 27 55.070 -8.465 -7.642 1.00 0.00 C ATOM 0 H VAL A 27 54.555 -6.198 -8.891 1.00 0.00 H new ATOM 0 HA VAL A 27 57.009 -7.012 -10.103 1.00 0.00 H new ATOM 0 HB VAL A 27 57.161 -8.472 -8.140 1.00 0.00 H new ATOM 0 HG11 VAL A 27 56.806 -6.764 -6.372 1.00 0.00 H new ATOM 0 HG12 VAL A 27 57.530 -6.034 -7.824 1.00 0.00 H new ATOM 0 HG13 VAL A 27 55.796 -5.817 -7.489 1.00 0.00 H new ATOM 0 HG21 VAL A 27 55.244 -8.731 -6.599 1.00 0.00 H new ATOM 0 HG22 VAL A 27 54.221 -7.784 -7.706 1.00 0.00 H new ATOM 0 HG23 VAL A 27 54.855 -9.367 -8.215 1.00 0.00 H new ATOM 382 N TYR A 28 54.418 -9.011 -10.404 1.00 0.00 N ATOM 383 CA TYR A 28 53.937 -10.177 -11.135 1.00 0.00 C ATOM 384 C TYR A 28 54.013 -9.945 -12.641 1.00 0.00 C ATOM 385 O TYR A 28 54.467 -10.813 -13.388 1.00 0.00 O ATOM 386 CB TYR A 28 52.493 -10.485 -10.738 1.00 0.00 C ATOM 387 CG TYR A 28 52.007 -11.691 -11.506 1.00 0.00 C ATOM 388 CD1 TYR A 28 52.367 -12.977 -11.092 1.00 0.00 C ATOM 389 CD2 TYR A 28 51.195 -11.522 -12.636 1.00 0.00 C ATOM 390 CE1 TYR A 28 51.917 -14.095 -11.803 1.00 0.00 C ATOM 391 CE2 TYR A 28 50.745 -12.639 -13.348 1.00 0.00 C ATOM 392 CZ TYR A 28 51.105 -13.926 -12.932 1.00 0.00 C ATOM 393 OH TYR A 28 50.661 -15.029 -13.633 1.00 0.00 O ATOM 0 H TYR A 28 53.709 -8.531 -9.850 1.00 0.00 H new ATOM 0 HA TYR A 28 54.574 -11.024 -10.880 1.00 0.00 H new ATOM 0 HB2 TYR A 28 52.431 -10.674 -9.666 1.00 0.00 H new ATOM 0 HB3 TYR A 28 51.856 -9.626 -10.947 1.00 0.00 H new ATOM 0 HD1 TYR A 28 52.993 -13.108 -10.222 1.00 0.00 H new ATOM 0 HD2 TYR A 28 50.917 -10.529 -12.957 1.00 0.00 H new ATOM 0 HE1 TYR A 28 52.196 -15.088 -11.482 1.00 0.00 H new ATOM 0 HE2 TYR A 28 50.120 -12.508 -14.219 1.00 0.00 H new ATOM 0 HH TYR A 28 50.108 -14.736 -14.387 1.00 0.00 H new ATOM 403 N PHE A 29 53.559 -8.778 -13.082 1.00 0.00 N ATOM 404 CA PHE A 29 53.571 -8.450 -14.505 1.00 0.00 C ATOM 405 C PHE A 29 54.999 -8.396 -15.044 1.00 0.00 C ATOM 406 O PHE A 29 55.318 -9.044 -16.041 1.00 0.00 O ATOM 407 CB PHE A 29 52.886 -7.101 -14.736 1.00 0.00 C ATOM 408 CG PHE A 29 52.936 -6.758 -16.207 1.00 0.00 C ATOM 409 CD1 PHE A 29 52.027 -7.348 -17.093 1.00 0.00 C ATOM 410 CD2 PHE A 29 53.889 -5.850 -16.684 1.00 0.00 C ATOM 411 CE1 PHE A 29 52.072 -7.033 -18.456 1.00 0.00 C ATOM 412 CE2 PHE A 29 53.935 -5.535 -18.049 1.00 0.00 C ATOM 413 CZ PHE A 29 53.026 -6.125 -18.934 1.00 0.00 C ATOM 0 H PHE A 29 53.180 -8.046 -12.481 1.00 0.00 H new ATOM 0 HA PHE A 29 53.029 -9.232 -15.037 1.00 0.00 H new ATOM 0 HB2 PHE A 29 51.851 -7.143 -14.396 1.00 0.00 H new ATOM 0 HB3 PHE A 29 53.382 -6.325 -14.153 1.00 0.00 H new ATOM 0 HD1 PHE A 29 51.290 -8.047 -16.725 1.00 0.00 H new ATOM 0 HD2 PHE A 29 54.589 -5.392 -16.000 1.00 0.00 H new ATOM 0 HE1 PHE A 29 51.371 -7.490 -19.139 1.00 0.00 H new ATOM 0 HE2 PHE A 29 54.672 -4.837 -18.418 1.00 0.00 H new ATOM 0 HZ PHE A 29 53.060 -5.881 -19.985 1.00 0.00 H new ATOM 567 N GLY B 7 40.288 2.246 16.795 1.00 0.00 N ATOM 568 CA GLY B 7 41.673 1.816 16.927 1.00 0.00 C ATOM 569 C GLY B 7 42.034 0.821 15.833 1.00 0.00 C ATOM 570 O GLY B 7 43.158 0.817 15.330 1.00 0.00 O ATOM 0 HA2 GLY B 7 42.334 2.681 16.872 1.00 0.00 H new ATOM 0 HA3 GLY B 7 41.826 1.360 17.905 1.00 0.00 H new ATOM 574 N VAL B 8 41.073 -0.020 15.464 1.00 0.00 N ATOM 575 CA VAL B 8 41.309 -1.008 14.422 1.00 0.00 C ATOM 576 C VAL B 8 41.816 -0.314 13.165 1.00 0.00 C ATOM 577 O VAL B 8 42.773 -0.767 12.537 1.00 0.00 O ATOM 578 CB VAL B 8 40.019 -1.777 14.113 1.00 0.00 C ATOM 579 CG1 VAL B 8 39.005 -0.847 13.436 1.00 0.00 C ATOM 580 CG2 VAL B 8 40.338 -2.954 13.184 1.00 0.00 C ATOM 0 H VAL B 8 40.136 -0.037 15.866 1.00 0.00 H new ATOM 0 HA VAL B 8 42.060 -1.717 14.770 1.00 0.00 H new ATOM 0 HB VAL B 8 39.592 -2.151 15.043 1.00 0.00 H new ATOM 0 HG11 VAL B 8 38.091 -1.401 13.220 1.00 0.00 H new ATOM 0 HG12 VAL B 8 38.776 -0.014 14.100 1.00 0.00 H new ATOM 0 HG13 VAL B 8 39.426 -0.465 12.506 1.00 0.00 H new ATOM 0 HG21 VAL B 8 39.422 -3.502 12.963 1.00 0.00 H new ATOM 0 HG22 VAL B 8 40.769 -2.579 12.256 1.00 0.00 H new ATOM 0 HG23 VAL B 8 41.050 -3.620 13.671 1.00 0.00 H new ATOM 590 N LEU B 9 41.187 0.807 12.815 1.00 0.00 N ATOM 591 CA LEU B 9 41.616 1.557 11.636 1.00 0.00 C ATOM 592 C LEU B 9 43.118 1.851 11.744 1.00 0.00 C ATOM 593 O LEU B 9 43.888 1.578 10.817 1.00 0.00 O ATOM 594 CB LEU B 9 40.810 2.870 11.535 1.00 0.00 C ATOM 595 CG LEU B 9 39.692 2.771 10.476 1.00 0.00 C ATOM 596 CD1 LEU B 9 40.297 2.634 9.054 1.00 0.00 C ATOM 597 CD2 LEU B 9 38.771 1.572 10.787 1.00 0.00 C ATOM 0 H LEU B 9 40.396 1.209 13.318 1.00 0.00 H new ATOM 0 HA LEU B 9 41.435 0.970 10.736 1.00 0.00 H new ATOM 0 HB2 LEU B 9 40.373 3.105 12.505 1.00 0.00 H new ATOM 0 HB3 LEU B 9 41.481 3.691 11.281 1.00 0.00 H new ATOM 0 HG LEU B 9 39.100 3.686 10.509 1.00 0.00 H new ATOM 0 HD11 LEU B 9 39.493 2.566 8.321 1.00 0.00 H new ATOM 0 HD12 LEU B 9 40.914 3.506 8.835 1.00 0.00 H new ATOM 0 HD13 LEU B 9 40.910 1.734 9.005 1.00 0.00 H new ATOM 0 HD21 LEU B 9 37.986 1.511 10.034 1.00 0.00 H new ATOM 0 HD22 LEU B 9 39.355 0.652 10.777 1.00 0.00 H new ATOM 0 HD23 LEU B 9 38.321 1.705 11.771 1.00 0.00 H new ATOM 609 N ALA B 10 43.530 2.392 12.889 1.00 0.00 N ATOM 610 CA ALA B 10 44.940 2.692 13.108 1.00 0.00 C ATOM 611 C ALA B 10 45.760 1.433 12.875 1.00 0.00 C ATOM 612 O ALA B 10 46.890 1.476 12.388 1.00 0.00 O ATOM 613 CB ALA B 10 45.157 3.192 14.538 1.00 0.00 C ATOM 0 H ALA B 10 42.916 2.628 13.668 1.00 0.00 H new ATOM 0 HA ALA B 10 45.255 3.471 12.413 1.00 0.00 H new ATOM 0 HB1 ALA B 10 46.214 3.413 14.690 1.00 0.00 H new ATOM 0 HB2 ALA B 10 44.570 4.096 14.700 1.00 0.00 H new ATOM 0 HB3 ALA B 10 44.842 2.424 15.244 1.00 0.00 H new ATOM 619 N GLY B 11 45.171 0.303 13.215 1.00 0.00 N ATOM 620 CA GLY B 11 45.845 -0.969 13.024 1.00 0.00 C ATOM 621 C GLY B 11 46.071 -1.220 11.540 1.00 0.00 C ATOM 622 O GLY B 11 47.086 -1.795 11.136 1.00 0.00 O ATOM 0 H GLY B 11 44.237 0.238 13.621 1.00 0.00 H new ATOM 0 HA2 GLY B 11 46.799 -0.967 13.550 1.00 0.00 H new ATOM 0 HA3 GLY B 11 45.247 -1.774 13.451 1.00 0.00 H new ATOM 626 N ILE B 12 45.112 -0.787 10.724 1.00 0.00 N ATOM 627 CA ILE B 12 45.216 -0.980 9.285 1.00 0.00 C ATOM 628 C ILE B 12 46.270 -0.047 8.672 1.00 0.00 C ATOM 629 O ILE B 12 46.914 -0.429 7.704 1.00 0.00 O ATOM 630 CB ILE B 12 43.837 -0.787 8.603 1.00 0.00 C ATOM 631 CG1 ILE B 12 42.981 -2.067 8.747 1.00 0.00 C ATOM 632 CG2 ILE B 12 44.018 -0.492 7.105 1.00 0.00 C ATOM 633 CD1 ILE B 12 42.459 -2.196 10.177 1.00 0.00 C ATOM 0 H ILE B 12 44.266 -0.307 11.032 1.00 0.00 H new ATOM 0 HA ILE B 12 45.541 -2.005 9.108 1.00 0.00 H new ATOM 0 HB ILE B 12 43.337 0.051 9.089 1.00 0.00 H new ATOM 0 HG12 ILE B 12 42.145 -2.034 8.049 1.00 0.00 H new ATOM 0 HG13 ILE B 12 43.577 -2.943 8.490 1.00 0.00 H new ATOM 0 HG21 ILE B 12 43.041 -0.359 6.640 1.00 0.00 H new ATOM 0 HG22 ILE B 12 44.606 0.418 6.982 1.00 0.00 H new ATOM 0 HG23 ILE B 12 44.536 -1.325 6.630 1.00 0.00 H new ATOM 0 HD11 ILE B 12 41.858 -3.101 10.265 1.00 0.00 H new ATOM 0 HD12 ILE B 12 43.300 -2.251 10.868 1.00 0.00 H new ATOM 0 HD13 ILE B 12 41.846 -1.328 10.420 1.00 0.00 H new ATOM 645 N VAL B 13 46.458 1.169 9.206 1.00 0.00 N ATOM 646 CA VAL B 13 47.471 2.058 8.612 1.00 0.00 C ATOM 647 C VAL B 13 48.872 1.533 8.900 1.00 0.00 C ATOM 648 O VAL B 13 49.729 1.525 8.014 1.00 0.00 O ATOM 649 CB VAL B 13 47.328 3.530 9.065 1.00 0.00 C ATOM 650 CG1 VAL B 13 45.839 3.918 9.129 1.00 0.00 C ATOM 651 CG2 VAL B 13 48.001 3.760 10.433 1.00 0.00 C ATOM 0 H VAL B 13 45.952 1.547 10.007 1.00 0.00 H new ATOM 0 HA VAL B 13 47.302 2.054 7.535 1.00 0.00 H new ATOM 0 HB VAL B 13 47.831 4.163 8.334 1.00 0.00 H new ATOM 0 HG11 VAL B 13 45.747 4.956 9.449 1.00 0.00 H new ATOM 0 HG12 VAL B 13 45.390 3.801 8.143 1.00 0.00 H new ATOM 0 HG13 VAL B 13 45.325 3.272 9.841 1.00 0.00 H new ATOM 0 HG21 VAL B 13 47.884 4.804 10.725 1.00 0.00 H new ATOM 0 HG22 VAL B 13 47.534 3.119 11.181 1.00 0.00 H new ATOM 0 HG23 VAL B 13 49.062 3.520 10.362 1.00 0.00 H new ATOM 661 N VAL B 14 49.115 1.057 10.114 1.00 0.00 N ATOM 662 CA VAL B 14 50.435 0.511 10.398 1.00 0.00 C ATOM 663 C VAL B 14 50.648 -0.706 9.500 1.00 0.00 C ATOM 664 O VAL B 14 51.743 -0.931 8.969 1.00 0.00 O ATOM 665 CB VAL B 14 50.566 0.131 11.874 1.00 0.00 C ATOM 666 CG1 VAL B 14 49.392 -0.749 12.288 1.00 0.00 C ATOM 667 CG2 VAL B 14 51.876 -0.630 12.094 1.00 0.00 C ATOM 0 H VAL B 14 48.449 1.036 10.887 1.00 0.00 H new ATOM 0 HA VAL B 14 51.198 1.262 10.194 1.00 0.00 H new ATOM 0 HB VAL B 14 50.566 1.038 12.478 1.00 0.00 H new ATOM 0 HG11 VAL B 14 49.491 -1.016 13.340 1.00 0.00 H new ATOM 0 HG12 VAL B 14 48.459 -0.205 12.138 1.00 0.00 H new ATOM 0 HG13 VAL B 14 49.385 -1.655 11.682 1.00 0.00 H new ATOM 0 HG21 VAL B 14 51.968 -0.900 13.146 1.00 0.00 H new ATOM 0 HG22 VAL B 14 51.878 -1.535 11.486 1.00 0.00 H new ATOM 0 HG23 VAL B 14 52.716 0.002 11.807 1.00 0.00 H new ATOM 677 N GLY B 15 49.575 -1.473 9.309 1.00 0.00 N ATOM 678 CA GLY B 15 49.630 -2.649 8.451 1.00 0.00 C ATOM 679 C GLY B 15 49.831 -2.249 6.990 1.00 0.00 C ATOM 680 O GLY B 15 50.418 -2.995 6.216 1.00 0.00 O ATOM 0 H GLY B 15 48.664 -1.300 9.735 1.00 0.00 H new ATOM 0 HA2 GLY B 15 50.445 -3.299 8.770 1.00 0.00 H new ATOM 0 HA3 GLY B 15 48.708 -3.221 8.552 1.00 0.00 H new ATOM 684 N ASP B 16 49.339 -1.066 6.623 1.00 0.00 N ATOM 685 CA ASP B 16 49.473 -0.573 5.253 1.00 0.00 C ATOM 686 C ASP B 16 50.944 -0.348 4.932 1.00 0.00 C ATOM 687 O ASP B 16 51.454 -0.814 3.908 1.00 0.00 O ATOM 688 CB ASP B 16 48.685 0.736 5.096 1.00 0.00 C ATOM 689 CG ASP B 16 48.901 1.345 3.714 1.00 0.00 C ATOM 690 OD1 ASP B 16 50.044 1.455 3.305 1.00 0.00 O ATOM 691 OD2 ASP B 16 47.916 1.707 3.094 1.00 0.00 O ATOM 0 H ASP B 16 48.846 -0.433 7.253 1.00 0.00 H new ATOM 0 HA ASP B 16 49.071 -1.311 4.559 1.00 0.00 H new ATOM 0 HB2 ASP B 16 47.623 0.546 5.251 1.00 0.00 H new ATOM 0 HB3 ASP B 16 48.997 1.446 5.862 1.00 0.00 H new ATOM 696 N LEU B 17 51.627 0.353 5.827 1.00 0.00 N ATOM 697 CA LEU B 17 53.045 0.622 5.650 1.00 0.00 C ATOM 698 C LEU B 17 53.805 -0.695 5.550 1.00 0.00 C ATOM 699 O LEU B 17 54.688 -0.862 4.702 1.00 0.00 O ATOM 700 CB LEU B 17 53.552 1.435 6.846 1.00 0.00 C ATOM 701 CG LEU B 17 52.968 2.877 6.798 1.00 0.00 C ATOM 702 CD1 LEU B 17 52.585 3.343 8.210 1.00 0.00 C ATOM 703 CD2 LEU B 17 54.006 3.843 6.210 1.00 0.00 C ATOM 0 H LEU B 17 51.223 0.743 6.678 1.00 0.00 H new ATOM 0 HA LEU B 17 53.204 1.190 4.734 1.00 0.00 H new ATOM 0 HB2 LEU B 17 53.262 0.947 7.777 1.00 0.00 H new ATOM 0 HB3 LEU B 17 54.641 1.475 6.833 1.00 0.00 H new ATOM 0 HG LEU B 17 52.078 2.870 6.168 1.00 0.00 H new ATOM 0 HD11 LEU B 17 52.178 4.353 8.162 1.00 0.00 H new ATOM 0 HD12 LEU B 17 51.835 2.669 8.625 1.00 0.00 H new ATOM 0 HD13 LEU B 17 53.469 3.338 8.847 1.00 0.00 H new ATOM 0 HD21 LEU B 17 53.590 4.850 6.180 1.00 0.00 H new ATOM 0 HD22 LEU B 17 54.901 3.839 6.833 1.00 0.00 H new ATOM 0 HD23 LEU B 17 54.266 3.527 5.200 1.00 0.00 H new ATOM 715 N VAL B 18 53.444 -1.633 6.420 1.00 0.00 N ATOM 716 CA VAL B 18 54.085 -2.942 6.430 1.00 0.00 C ATOM 717 C VAL B 18 53.742 -3.733 5.166 1.00 0.00 C ATOM 718 O VAL B 18 54.485 -4.628 4.770 1.00 0.00 O ATOM 719 CB VAL B 18 53.637 -3.723 7.665 1.00 0.00 C ATOM 720 CG1 VAL B 18 54.261 -5.120 7.639 1.00 0.00 C ATOM 721 CG2 VAL B 18 54.091 -2.984 8.927 1.00 0.00 C ATOM 0 H VAL B 18 52.715 -1.512 7.123 1.00 0.00 H new ATOM 0 HA VAL B 18 55.165 -2.795 6.458 1.00 0.00 H new ATOM 0 HB VAL B 18 52.551 -3.811 7.666 1.00 0.00 H new ATOM 0 HG11 VAL B 18 53.942 -5.677 8.520 1.00 0.00 H new ATOM 0 HG12 VAL B 18 53.939 -5.646 6.740 1.00 0.00 H new ATOM 0 HG13 VAL B 18 55.348 -5.033 7.639 1.00 0.00 H new ATOM 0 HG21 VAL B 18 53.772 -3.540 9.809 1.00 0.00 H new ATOM 0 HG22 VAL B 18 55.177 -2.897 8.926 1.00 0.00 H new ATOM 0 HG23 VAL B 18 53.647 -1.989 8.945 1.00 0.00 H new ATOM 731 N LEU B 19 52.612 -3.407 4.544 1.00 0.00 N ATOM 732 CA LEU B 19 52.182 -4.103 3.332 1.00 0.00 C ATOM 733 C LEU B 19 53.091 -3.732 2.162 1.00 0.00 C ATOM 734 O LEU B 19 53.628 -4.604 1.470 1.00 0.00 O ATOM 735 CB LEU B 19 50.721 -3.714 3.022 1.00 0.00 C ATOM 736 CG LEU B 19 49.995 -4.851 2.292 1.00 0.00 C ATOM 737 CD1 LEU B 19 48.512 -4.498 2.152 1.00 0.00 C ATOM 738 CD2 LEU B 19 50.606 -5.049 0.903 1.00 0.00 C ATOM 0 H LEU B 19 51.980 -2.670 4.856 1.00 0.00 H new ATOM 0 HA LEU B 19 52.246 -5.180 3.485 1.00 0.00 H new ATOM 0 HB2 LEU B 19 50.198 -3.480 3.949 1.00 0.00 H new ATOM 0 HB3 LEU B 19 50.703 -2.813 2.409 1.00 0.00 H new ATOM 0 HG LEU B 19 50.100 -5.773 2.864 1.00 0.00 H new ATOM 0 HD11 LEU B 19 47.993 -5.304 1.633 1.00 0.00 H new ATOM 0 HD12 LEU B 19 48.075 -4.363 3.141 1.00 0.00 H new ATOM 0 HD13 LEU B 19 48.410 -3.575 1.581 1.00 0.00 H new ATOM 0 HD21 LEU B 19 50.087 -5.858 0.389 1.00 0.00 H new ATOM 0 HD22 LEU B 19 50.506 -4.129 0.327 1.00 0.00 H new ATOM 0 HD23 LEU B 19 51.662 -5.301 1.003 1.00 0.00 H new ATOM 750 N THR B 20 53.263 -2.431 1.956 1.00 0.00 N ATOM 751 CA THR B 20 54.111 -1.944 0.874 1.00 0.00 C ATOM 752 C THR B 20 55.543 -2.429 1.055 1.00 0.00 C ATOM 753 O THR B 20 56.162 -2.941 0.121 1.00 0.00 O ATOM 754 CB THR B 20 54.100 -0.415 0.856 1.00 0.00 C ATOM 755 OG1 THR B 20 52.767 0.049 0.990 1.00 0.00 O ATOM 756 CG2 THR B 20 54.688 0.087 -0.464 1.00 0.00 C ATOM 0 H THR B 20 52.830 -1.699 2.519 1.00 0.00 H new ATOM 0 HA THR B 20 53.721 -2.329 -0.068 1.00 0.00 H new ATOM 0 HB THR B 20 54.700 -0.038 1.684 1.00 0.00 H new ATOM 0 HG1 THR B 20 52.771 1.017 1.140 1.00 0.00 H new ATOM 0 HG21 THR B 20 54.679 1.177 -0.475 1.00 0.00 H new ATOM 0 HG22 THR B 20 55.713 -0.269 -0.564 1.00 0.00 H new ATOM 0 HG23 THR B 20 54.091 -0.289 -1.295 1.00 0.00 H new ATOM 764 N VAL B 21 56.068 -2.251 2.261 1.00 0.00 N ATOM 765 CA VAL B 21 57.434 -2.661 2.551 1.00 0.00 C ATOM 766 C VAL B 21 57.598 -4.171 2.421 1.00 0.00 C ATOM 767 O VAL B 21 58.595 -4.638 1.890 1.00 0.00 O ATOM 768 CB VAL B 21 57.823 -2.226 3.967 1.00 0.00 C ATOM 769 CG1 VAL B 21 59.230 -2.730 4.292 1.00 0.00 C ATOM 770 CG2 VAL B 21 57.799 -0.698 4.058 1.00 0.00 C ATOM 0 H VAL B 21 55.573 -1.829 3.047 1.00 0.00 H new ATOM 0 HA VAL B 21 58.089 -2.179 1.825 1.00 0.00 H new ATOM 0 HB VAL B 21 57.113 -2.646 4.680 1.00 0.00 H new ATOM 0 HG11 VAL B 21 59.504 -2.419 5.300 1.00 0.00 H new ATOM 0 HG12 VAL B 21 59.250 -3.818 4.230 1.00 0.00 H new ATOM 0 HG13 VAL B 21 59.940 -2.313 3.578 1.00 0.00 H new ATOM 0 HG21 VAL B 21 58.076 -0.389 5.066 1.00 0.00 H new ATOM 0 HG22 VAL B 21 58.507 -0.280 3.343 1.00 0.00 H new ATOM 0 HG23 VAL B 21 56.797 -0.336 3.830 1.00 0.00 H new ATOM 780 N LEU B 22 56.630 -4.925 2.927 1.00 0.00 N ATOM 781 CA LEU B 22 56.703 -6.386 2.883 1.00 0.00 C ATOM 782 C LEU B 22 56.852 -6.913 1.454 1.00 0.00 C ATOM 783 O LEU B 22 57.766 -7.687 1.172 1.00 0.00 O ATOM 784 CB LEU B 22 55.442 -6.980 3.530 1.00 0.00 C ATOM 785 CG LEU B 22 55.394 -8.505 3.342 1.00 0.00 C ATOM 786 CD1 LEU B 22 56.697 -9.136 3.845 1.00 0.00 C ATOM 787 CD2 LEU B 22 54.212 -9.068 4.141 1.00 0.00 C ATOM 0 H LEU B 22 55.789 -4.555 3.370 1.00 0.00 H new ATOM 0 HA LEU B 22 57.590 -6.693 3.437 1.00 0.00 H new ATOM 0 HB2 LEU B 22 55.427 -6.740 4.593 1.00 0.00 H new ATOM 0 HB3 LEU B 22 54.554 -6.527 3.088 1.00 0.00 H new ATOM 0 HG LEU B 22 55.273 -8.737 2.284 1.00 0.00 H new ATOM 0 HD11 LEU B 22 56.655 -10.217 3.708 1.00 0.00 H new ATOM 0 HD12 LEU B 22 57.538 -8.732 3.282 1.00 0.00 H new ATOM 0 HD13 LEU B 22 56.826 -8.909 4.903 1.00 0.00 H new ATOM 0 HD21 LEU B 22 54.169 -10.150 4.014 1.00 0.00 H new ATOM 0 HD22 LEU B 22 54.341 -8.831 5.197 1.00 0.00 H new ATOM 0 HD23 LEU B 22 53.284 -8.624 3.780 1.00 0.00 H new ATOM 799 N ILE B 23 55.951 -6.519 0.557 1.00 0.00 N ATOM 800 CA ILE B 23 56.023 -7.006 -0.821 1.00 0.00 C ATOM 801 C ILE B 23 57.307 -6.522 -1.493 1.00 0.00 C ATOM 802 O ILE B 23 58.011 -7.302 -2.149 1.00 0.00 O ATOM 803 CB ILE B 23 54.788 -6.557 -1.613 1.00 0.00 C ATOM 804 CG1 ILE B 23 53.531 -7.015 -0.865 1.00 0.00 C ATOM 805 CG2 ILE B 23 54.802 -7.197 -3.011 1.00 0.00 C ATOM 806 CD1 ILE B 23 52.300 -6.326 -1.448 1.00 0.00 C ATOM 0 H ILE B 23 55.180 -5.880 0.750 1.00 0.00 H new ATOM 0 HA ILE B 23 56.039 -8.096 -0.804 1.00 0.00 H new ATOM 0 HB ILE B 23 54.795 -5.472 -1.715 1.00 0.00 H new ATOM 0 HG12 ILE B 23 53.424 -8.097 -0.944 1.00 0.00 H new ATOM 0 HG13 ILE B 23 53.622 -6.780 0.195 1.00 0.00 H new ATOM 0 HG21 ILE B 23 53.922 -6.874 -3.568 1.00 0.00 H new ATOM 0 HG22 ILE B 23 55.702 -6.889 -3.543 1.00 0.00 H new ATOM 0 HG23 ILE B 23 54.792 -8.283 -2.914 1.00 0.00 H new ATOM 0 HD11 ILE B 23 51.410 -6.656 -0.912 1.00 0.00 H new ATOM 0 HD12 ILE B 23 52.405 -5.246 -1.346 1.00 0.00 H new ATOM 0 HD13 ILE B 23 52.204 -6.583 -2.503 1.00 0.00 H new ATOM 818 N ALA B 24 57.630 -5.244 -1.310 1.00 0.00 N ATOM 819 CA ALA B 24 58.851 -4.703 -1.888 1.00 0.00 C ATOM 820 C ALA B 24 60.038 -5.538 -1.422 1.00 0.00 C ATOM 821 O ALA B 24 60.978 -5.782 -2.176 1.00 0.00 O ATOM 822 CB ALA B 24 59.041 -3.248 -1.460 1.00 0.00 C ATOM 0 H ALA B 24 57.073 -4.577 -0.776 1.00 0.00 H new ATOM 0 HA ALA B 24 58.780 -4.739 -2.975 1.00 0.00 H new ATOM 0 HB1 ALA B 24 59.958 -2.856 -1.900 1.00 0.00 H new ATOM 0 HB2 ALA B 24 58.193 -2.655 -1.801 1.00 0.00 H new ATOM 0 HB3 ALA B 24 59.108 -3.194 -0.373 1.00 0.00 H new ATOM 828 N LEU B 25 59.973 -5.985 -0.170 1.00 0.00 N ATOM 829 CA LEU B 25 61.033 -6.808 0.397 1.00 0.00 C ATOM 830 C LEU B 25 61.065 -8.148 -0.328 1.00 0.00 C ATOM 831 O LEU B 25 62.131 -8.695 -0.599 1.00 0.00 O ATOM 832 CB LEU B 25 60.784 -7.028 1.908 1.00 0.00 C ATOM 833 CG LEU B 25 62.112 -7.166 2.681 1.00 0.00 C ATOM 834 CD1 LEU B 25 63.004 -8.225 2.019 1.00 0.00 C ATOM 835 CD2 LEU B 25 62.853 -5.813 2.732 1.00 0.00 C ATOM 0 H LEU B 25 59.200 -5.791 0.467 1.00 0.00 H new ATOM 0 HA LEU B 25 61.991 -6.304 0.274 1.00 0.00 H new ATOM 0 HB2 LEU B 25 60.212 -6.192 2.310 1.00 0.00 H new ATOM 0 HB3 LEU B 25 60.182 -7.925 2.053 1.00 0.00 H new ATOM 0 HG LEU B 25 61.885 -7.479 3.700 1.00 0.00 H new ATOM 0 HD11 LEU B 25 63.938 -8.313 2.574 1.00 0.00 H new ATOM 0 HD12 LEU B 25 62.490 -9.186 2.020 1.00 0.00 H new ATOM 0 HD13 LEU B 25 63.219 -7.929 0.992 1.00 0.00 H new ATOM 0 HD21 LEU B 25 63.787 -5.930 3.281 1.00 0.00 H new ATOM 0 HD22 LEU B 25 63.068 -5.478 1.717 1.00 0.00 H new ATOM 0 HD23 LEU B 25 62.228 -5.074 3.233 1.00 0.00 H new ATOM 847 N ALA B 26 59.881 -8.669 -0.635 1.00 0.00 N ATOM 848 CA ALA B 26 59.779 -9.944 -1.326 1.00 0.00 C ATOM 849 C ALA B 26 60.609 -9.920 -2.602 1.00 0.00 C ATOM 850 O ALA B 26 61.483 -10.770 -2.797 1.00 0.00 O ATOM 851 CB ALA B 26 58.318 -10.245 -1.664 1.00 0.00 C ATOM 0 H ALA B 26 58.987 -8.230 -0.417 1.00 0.00 H new ATOM 0 HA ALA B 26 60.161 -10.726 -0.670 1.00 0.00 H new ATOM 0 HB1 ALA B 26 58.254 -11.202 -2.181 1.00 0.00 H new ATOM 0 HB2 ALA B 26 57.734 -10.289 -0.745 1.00 0.00 H new ATOM 0 HB3 ALA B 26 57.924 -9.458 -2.307 1.00 0.00 H new ATOM 857 N VAL B 27 60.348 -8.947 -3.477 1.00 0.00 N ATOM 858 CA VAL B 27 61.116 -8.874 -4.719 1.00 0.00 C ATOM 859 C VAL B 27 62.593 -8.609 -4.435 1.00 0.00 C ATOM 860 O VAL B 27 63.466 -9.146 -5.117 1.00 0.00 O ATOM 861 CB VAL B 27 60.572 -7.776 -5.633 1.00 0.00 C ATOM 862 CG1 VAL B 27 59.225 -8.204 -6.207 1.00 0.00 C ATOM 863 CG2 VAL B 27 60.401 -6.481 -4.836 1.00 0.00 C ATOM 0 H VAL B 27 59.638 -8.224 -3.357 1.00 0.00 H new ATOM 0 HA VAL B 27 61.018 -9.837 -5.220 1.00 0.00 H new ATOM 0 HB VAL B 27 61.274 -7.608 -6.449 1.00 0.00 H new ATOM 0 HG11 VAL B 27 58.841 -7.419 -6.858 1.00 0.00 H new ATOM 0 HG12 VAL B 27 59.349 -9.122 -6.781 1.00 0.00 H new ATOM 0 HG13 VAL B 27 58.521 -8.377 -5.393 1.00 0.00 H new ATOM 0 HG21 VAL B 27 60.013 -5.700 -5.490 1.00 0.00 H new ATOM 0 HG22 VAL B 27 59.702 -6.648 -4.016 1.00 0.00 H new ATOM 0 HG23 VAL B 27 61.366 -6.171 -4.434 1.00 0.00 H new ATOM 873 N TYR B 28 62.869 -7.782 -3.435 1.00 0.00 N ATOM 874 CA TYR B 28 64.250 -7.461 -3.091 1.00 0.00 C ATOM 875 C TYR B 28 65.037 -8.734 -2.787 1.00 0.00 C ATOM 876 O TYR B 28 66.148 -8.922 -3.284 1.00 0.00 O ATOM 877 CB TYR B 28 64.285 -6.534 -1.874 1.00 0.00 C ATOM 878 CG TYR B 28 65.719 -6.207 -1.534 1.00 0.00 C ATOM 879 CD1 TYR B 28 66.360 -5.133 -2.162 1.00 0.00 C ATOM 880 CD2 TYR B 28 66.407 -6.978 -0.589 1.00 0.00 C ATOM 881 CE1 TYR B 28 67.690 -4.831 -1.847 1.00 0.00 C ATOM 882 CE2 TYR B 28 67.737 -6.675 -0.274 1.00 0.00 C ATOM 883 CZ TYR B 28 68.378 -5.602 -0.904 1.00 0.00 C ATOM 884 OH TYR B 28 69.690 -5.304 -0.593 1.00 0.00 O ATOM 0 H TYR B 28 62.166 -7.326 -2.854 1.00 0.00 H new ATOM 0 HA TYR B 28 64.708 -6.958 -3.943 1.00 0.00 H new ATOM 0 HB2 TYR B 28 63.732 -5.619 -2.084 1.00 0.00 H new ATOM 0 HB3 TYR B 28 63.798 -7.013 -1.024 1.00 0.00 H new ATOM 0 HD1 TYR B 28 65.829 -4.537 -2.889 1.00 0.00 H new ATOM 0 HD2 TYR B 28 65.912 -7.806 -0.103 1.00 0.00 H new ATOM 0 HE1 TYR B 28 68.185 -4.003 -2.332 1.00 0.00 H new ATOM 0 HE2 TYR B 28 68.268 -7.269 0.455 1.00 0.00 H new ATOM 0 HH TYR B 28 70.018 -5.936 0.080 1.00 0.00 H new ATOM 894 N PHE B 29 64.454 -9.603 -1.968 1.00 0.00 N ATOM 895 CA PHE B 29 65.105 -10.855 -1.601 1.00 0.00 C ATOM 896 C PHE B 29 65.322 -11.733 -2.830 1.00 0.00 C ATOM 897 O PHE B 29 66.411 -12.267 -3.038 1.00 0.00 O ATOM 898 CB PHE B 29 64.249 -11.609 -0.582 1.00 0.00 C ATOM 899 CG PHE B 29 64.956 -12.878 -0.166 1.00 0.00 C ATOM 900 CD1 PHE B 29 65.840 -12.862 0.919 1.00 0.00 C ATOM 901 CD2 PHE B 29 64.725 -14.068 -0.864 1.00 0.00 C ATOM 902 CE1 PHE B 29 66.495 -14.037 1.305 1.00 0.00 C ATOM 903 CE2 PHE B 29 65.381 -15.245 -0.478 1.00 0.00 C ATOM 904 CZ PHE B 29 66.266 -15.229 0.607 1.00 0.00 C ATOM 0 H PHE B 29 63.535 -9.464 -1.547 1.00 0.00 H new ATOM 0 HA PHE B 29 66.075 -10.620 -1.162 1.00 0.00 H new ATOM 0 HB2 PHE B 29 64.065 -10.981 0.290 1.00 0.00 H new ATOM 0 HB3 PHE B 29 63.277 -11.847 -1.014 1.00 0.00 H new ATOM 0 HD1 PHE B 29 66.017 -11.943 1.458 1.00 0.00 H new ATOM 0 HD2 PHE B 29 64.041 -14.080 -1.700 1.00 0.00 H new ATOM 0 HE1 PHE B 29 67.178 -14.024 2.142 1.00 0.00 H new ATOM 0 HE2 PHE B 29 65.204 -16.164 -1.017 1.00 0.00 H new ATOM 0 HZ PHE B 29 66.772 -16.136 0.905 1.00 0.00 H new