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 180:sc= -1.48 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 20 THR OG1 : rot 153:sc= -4.41! USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 76 N GLY A 7 37.609 9.508 8.863 1.00 0.00 N ATOM 77 CA GLY A 7 37.650 10.004 7.490 1.00 0.00 C ATOM 78 C GLY A 7 39.022 9.778 6.861 1.00 0.00 C ATOM 79 O GLY A 7 39.150 9.072 5.859 1.00 0.00 O ATOM 0 HA2 GLY A 7 36.887 9.500 6.896 1.00 0.00 H new ATOM 0 HA3 GLY A 7 37.412 11.068 7.478 1.00 0.00 H new ATOM 83 N VAL A 8 40.051 10.369 7.457 1.00 0.00 N ATOM 84 CA VAL A 8 41.400 10.205 6.934 1.00 0.00 C ATOM 85 C VAL A 8 41.809 8.737 7.013 1.00 0.00 C ATOM 86 O VAL A 8 42.370 8.189 6.064 1.00 0.00 O ATOM 87 CB VAL A 8 42.384 11.083 7.714 1.00 0.00 C ATOM 88 CG1 VAL A 8 42.372 10.698 9.196 1.00 0.00 C ATOM 89 CG2 VAL A 8 43.794 10.894 7.143 1.00 0.00 C ATOM 0 H VAL A 8 39.979 10.956 8.288 1.00 0.00 H new ATOM 0 HA VAL A 8 41.418 10.519 5.890 1.00 0.00 H new ATOM 0 HB VAL A 8 42.087 12.127 7.619 1.00 0.00 H new ATOM 0 HG11 VAL A 8 43.075 11.328 9.741 1.00 0.00 H new ATOM 0 HG12 VAL A 8 41.370 10.838 9.600 1.00 0.00 H new ATOM 0 HG13 VAL A 8 42.663 9.653 9.303 1.00 0.00 H new ATOM 0 HG21 VAL A 8 44.497 11.517 7.696 1.00 0.00 H new ATOM 0 HG22 VAL A 8 44.087 9.848 7.235 1.00 0.00 H new ATOM 0 HG23 VAL A 8 43.802 11.182 6.092 1.00 0.00 H new ATOM 99 N LEU A 9 41.499 8.095 8.139 1.00 0.00 N ATOM 100 CA LEU A 9 41.817 6.682 8.311 1.00 0.00 C ATOM 101 C LEU A 9 41.158 5.874 7.187 1.00 0.00 C ATOM 102 O LEU A 9 41.805 5.042 6.539 1.00 0.00 O ATOM 103 CB LEU A 9 41.317 6.200 9.697 1.00 0.00 C ATOM 104 CG LEU A 9 42.468 6.139 10.728 1.00 0.00 C ATOM 105 CD1 LEU A 9 43.558 5.131 10.284 1.00 0.00 C ATOM 106 CD2 LEU A 9 43.077 7.537 10.899 1.00 0.00 C ATOM 0 H LEU A 9 41.033 8.527 8.937 1.00 0.00 H new ATOM 0 HA LEU A 9 42.896 6.536 8.263 1.00 0.00 H new ATOM 0 HB2 LEU A 9 40.540 6.873 10.058 1.00 0.00 H new ATOM 0 HB3 LEU A 9 40.864 5.214 9.598 1.00 0.00 H new ATOM 0 HG LEU A 9 42.065 5.799 11.682 1.00 0.00 H new ATOM 0 HD11 LEU A 9 44.356 5.107 11.026 1.00 0.00 H new ATOM 0 HD12 LEU A 9 43.119 4.138 10.191 1.00 0.00 H new ATOM 0 HD13 LEU A 9 43.967 5.438 9.321 1.00 0.00 H new ATOM 0 HD21 LEU A 9 43.888 7.494 11.626 1.00 0.00 H new ATOM 0 HD22 LEU A 9 43.465 7.884 9.942 1.00 0.00 H new ATOM 0 HD23 LEU A 9 42.310 8.227 11.251 1.00 0.00 H new ATOM 118 N ALA A 10 39.874 6.141 6.939 1.00 0.00 N ATOM 119 CA ALA A 10 39.162 5.448 5.872 1.00 0.00 C ATOM 120 C ALA A 10 39.970 5.582 4.585 1.00 0.00 C ATOM 121 O ALA A 10 40.088 4.649 3.782 1.00 0.00 O ATOM 122 CB ALA A 10 37.774 6.063 5.674 1.00 0.00 C ATOM 0 H ALA A 10 39.316 6.821 7.455 1.00 0.00 H new ATOM 0 HA ALA A 10 39.041 4.397 6.135 1.00 0.00 H new ATOM 0 HB1 ALA A 10 37.253 5.536 4.874 1.00 0.00 H new ATOM 0 HB2 ALA A 10 37.202 5.976 6.598 1.00 0.00 H new ATOM 0 HB3 ALA A 10 37.877 7.115 5.408 1.00 0.00 H new ATOM 128 N GLY A 11 40.544 6.763 4.418 1.00 0.00 N ATOM 129 CA GLY A 11 41.363 7.051 3.247 1.00 0.00 C ATOM 130 C GLY A 11 42.578 6.132 3.202 1.00 0.00 C ATOM 131 O GLY A 11 42.966 5.647 2.138 1.00 0.00 O ATOM 0 H GLY A 11 40.459 7.538 5.076 1.00 0.00 H new ATOM 0 HA2 GLY A 11 40.770 6.923 2.341 1.00 0.00 H new ATOM 0 HA3 GLY A 11 41.688 8.091 3.271 1.00 0.00 H new ATOM 135 N ILE A 12 43.173 5.891 4.366 1.00 0.00 N ATOM 136 CA ILE A 12 44.340 5.023 4.439 1.00 0.00 C ATOM 137 C ILE A 12 43.995 3.622 3.949 1.00 0.00 C ATOM 138 O ILE A 12 44.781 3.011 3.231 1.00 0.00 O ATOM 139 CB ILE A 12 44.877 4.952 5.872 1.00 0.00 C ATOM 140 CG1 ILE A 12 45.211 6.365 6.386 1.00 0.00 C ATOM 141 CG2 ILE A 12 46.132 4.072 5.909 1.00 0.00 C ATOM 142 CD1 ILE A 12 46.199 7.074 5.447 1.00 0.00 C ATOM 0 H ILE A 12 42.871 6.279 5.260 1.00 0.00 H new ATOM 0 HA ILE A 12 45.113 5.445 3.796 1.00 0.00 H new ATOM 0 HB ILE A 12 44.113 4.517 6.516 1.00 0.00 H new ATOM 0 HG12 ILE A 12 44.296 6.952 6.467 1.00 0.00 H new ATOM 0 HG13 ILE A 12 45.638 6.300 7.387 1.00 0.00 H new ATOM 0 HG21 ILE A 12 46.512 4.023 6.929 1.00 0.00 H new ATOM 0 HG22 ILE A 12 45.883 3.068 5.566 1.00 0.00 H new ATOM 0 HG23 ILE A 12 46.895 4.499 5.258 1.00 0.00 H new ATOM 0 HD11 ILE A 12 46.418 8.069 5.833 1.00 0.00 H new ATOM 0 HD12 ILE A 12 47.122 6.497 5.387 1.00 0.00 H new ATOM 0 HD13 ILE A 12 45.759 7.159 4.453 1.00 0.00 H new ATOM 154 N VAL A 13 42.824 3.111 4.328 1.00 0.00 N ATOM 155 CA VAL A 13 42.441 1.769 3.879 1.00 0.00 C ATOM 156 C VAL A 13 42.357 1.752 2.356 1.00 0.00 C ATOM 157 O VAL A 13 42.858 0.832 1.711 1.00 0.00 O ATOM 158 CB VAL A 13 41.111 1.281 4.533 1.00 0.00 C ATOM 159 CG1 VAL A 13 40.837 2.066 5.811 1.00 0.00 C ATOM 160 CG2 VAL A 13 39.907 1.445 3.586 1.00 0.00 C ATOM 0 H VAL A 13 42.144 3.584 4.923 1.00 0.00 H new ATOM 0 HA VAL A 13 43.209 1.066 4.203 1.00 0.00 H new ATOM 0 HB VAL A 13 41.235 0.221 4.755 1.00 0.00 H new ATOM 0 HG11 VAL A 13 39.907 1.718 6.260 1.00 0.00 H new ATOM 0 HG12 VAL A 13 41.657 1.916 6.513 1.00 0.00 H new ATOM 0 HG13 VAL A 13 40.751 3.127 5.575 1.00 0.00 H new ATOM 0 HG21 VAL A 13 39.003 1.093 4.083 1.00 0.00 H new ATOM 0 HG22 VAL A 13 39.791 2.497 3.324 1.00 0.00 H new ATOM 0 HG23 VAL A 13 40.074 0.862 2.680 1.00 0.00 H new ATOM 170 N VAL A 14 41.749 2.784 1.776 1.00 0.00 N ATOM 171 CA VAL A 14 41.659 2.844 0.322 1.00 0.00 C ATOM 172 C VAL A 14 43.057 2.668 -0.267 1.00 0.00 C ATOM 173 O VAL A 14 43.271 1.888 -1.203 1.00 0.00 O ATOM 174 CB VAL A 14 41.071 4.186 -0.122 1.00 0.00 C ATOM 175 CG1 VAL A 14 41.115 4.284 -1.648 1.00 0.00 C ATOM 176 CG2 VAL A 14 39.620 4.291 0.355 1.00 0.00 C ATOM 0 H VAL A 14 41.324 3.567 2.273 1.00 0.00 H new ATOM 0 HA VAL A 14 41.004 2.049 -0.033 1.00 0.00 H new ATOM 0 HB VAL A 14 41.655 4.998 0.310 1.00 0.00 H new ATOM 0 HG11 VAL A 14 40.696 5.240 -1.963 1.00 0.00 H new ATOM 0 HG12 VAL A 14 42.148 4.211 -1.988 1.00 0.00 H new ATOM 0 HG13 VAL A 14 40.532 3.472 -2.082 1.00 0.00 H new ATOM 0 HG21 VAL A 14 39.201 5.246 0.039 1.00 0.00 H new ATOM 0 HG22 VAL A 14 39.036 3.478 -0.076 1.00 0.00 H new ATOM 0 HG23 VAL A 14 39.589 4.223 1.442 1.00 0.00 H new ATOM 186 N GLY A 15 44.013 3.386 0.316 1.00 0.00 N ATOM 187 CA GLY A 15 45.397 3.301 -0.125 1.00 0.00 C ATOM 188 C GLY A 15 45.954 1.900 0.107 1.00 0.00 C ATOM 189 O GLY A 15 46.807 1.435 -0.643 1.00 0.00 O ATOM 0 H GLY A 15 43.853 4.030 1.091 1.00 0.00 H new ATOM 0 HA2 GLY A 15 45.462 3.553 -1.184 1.00 0.00 H new ATOM 0 HA3 GLY A 15 46.001 4.031 0.414 1.00 0.00 H new ATOM 193 N ASP A 16 45.468 1.231 1.151 1.00 0.00 N ATOM 194 CA ASP A 16 45.932 -0.117 1.463 1.00 0.00 C ATOM 195 C ASP A 16 45.636 -1.053 0.300 1.00 0.00 C ATOM 196 O ASP A 16 46.509 -1.794 -0.150 1.00 0.00 O ATOM 197 CB ASP A 16 45.247 -0.634 2.731 1.00 0.00 C ATOM 198 CG ASP A 16 45.964 -1.880 3.243 1.00 0.00 C ATOM 199 OD1 ASP A 16 47.125 -2.052 2.911 1.00 0.00 O ATOM 200 OD2 ASP A 16 45.341 -2.644 3.962 1.00 0.00 O ATOM 0 H ASP A 16 44.761 1.596 1.788 1.00 0.00 H new ATOM 0 HA ASP A 16 47.008 -0.084 1.631 1.00 0.00 H new ATOM 0 HB2 ASP A 16 45.253 0.140 3.499 1.00 0.00 H new ATOM 0 HB3 ASP A 16 44.203 -0.866 2.521 1.00 0.00 H new ATOM 205 N LEU A 17 44.402 -1.005 -0.192 1.00 0.00 N ATOM 206 CA LEU A 17 44.015 -1.848 -1.317 1.00 0.00 C ATOM 207 C LEU A 17 44.867 -1.489 -2.531 1.00 0.00 C ATOM 208 O LEU A 17 45.316 -2.367 -3.272 1.00 0.00 O ATOM 209 CB LEU A 17 42.523 -1.651 -1.641 1.00 0.00 C ATOM 210 CG LEU A 17 41.663 -2.526 -0.722 1.00 0.00 C ATOM 211 CD1 LEU A 17 41.884 -2.118 0.735 1.00 0.00 C ATOM 212 CD2 LEU A 17 40.187 -2.342 -1.080 1.00 0.00 C ATOM 0 H LEU A 17 43.662 -0.400 0.165 1.00 0.00 H new ATOM 0 HA LEU A 17 44.177 -2.894 -1.056 1.00 0.00 H new ATOM 0 HB2 LEU A 17 42.251 -0.603 -1.516 1.00 0.00 H new ATOM 0 HB3 LEU A 17 42.332 -1.908 -2.683 1.00 0.00 H new ATOM 0 HG LEU A 17 41.946 -3.571 -0.852 1.00 0.00 H new ATOM 0 HD11 LEU A 17 41.271 -2.742 1.385 1.00 0.00 H new ATOM 0 HD12 LEU A 17 42.935 -2.247 0.994 1.00 0.00 H new ATOM 0 HD13 LEU A 17 41.604 -1.073 0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 17 39.574 -2.964 -0.427 1.00 0.00 H new ATOM 0 HD22 LEU A 17 39.909 -1.296 -0.951 1.00 0.00 H new ATOM 0 HD23 LEU A 17 40.025 -2.635 -2.117 1.00 0.00 H new ATOM 224 N VAL A 18 45.090 -0.192 -2.723 1.00 0.00 N ATOM 225 CA VAL A 18 45.896 0.274 -3.848 1.00 0.00 C ATOM 226 C VAL A 18 47.308 -0.313 -3.782 1.00 0.00 C ATOM 227 O VAL A 18 47.866 -0.717 -4.800 1.00 0.00 O ATOM 228 CB VAL A 18 45.970 1.803 -3.838 1.00 0.00 C ATOM 229 CG1 VAL A 18 46.924 2.281 -4.935 1.00 0.00 C ATOM 230 CG2 VAL A 18 44.575 2.381 -4.094 1.00 0.00 C ATOM 0 H VAL A 18 44.729 0.548 -2.122 1.00 0.00 H new ATOM 0 HA VAL A 18 45.424 -0.060 -4.772 1.00 0.00 H new ATOM 0 HB VAL A 18 46.336 2.140 -2.868 1.00 0.00 H new ATOM 0 HG11 VAL A 18 46.974 3.370 -4.925 1.00 0.00 H new ATOM 0 HG12 VAL A 18 47.918 1.870 -4.757 1.00 0.00 H new ATOM 0 HG13 VAL A 18 46.561 1.944 -5.906 1.00 0.00 H new ATOM 0 HG21 VAL A 18 44.625 3.470 -4.087 1.00 0.00 H new ATOM 0 HG22 VAL A 18 44.212 2.041 -5.064 1.00 0.00 H new ATOM 0 HG23 VAL A 18 43.893 2.045 -3.313 1.00 0.00 H new ATOM 240 N LEU A 19 47.882 -0.348 -2.583 1.00 0.00 N ATOM 241 CA LEU A 19 49.231 -0.880 -2.397 1.00 0.00 C ATOM 242 C LEU A 19 49.285 -2.367 -2.727 1.00 0.00 C ATOM 243 O LEU A 19 50.211 -2.832 -3.393 1.00 0.00 O ATOM 244 CB LEU A 19 49.669 -0.679 -0.942 1.00 0.00 C ATOM 245 CG LEU A 19 49.923 0.811 -0.661 1.00 0.00 C ATOM 246 CD1 LEU A 19 49.966 1.040 0.860 1.00 0.00 C ATOM 247 CD2 LEU A 19 51.255 1.263 -1.299 1.00 0.00 C ATOM 0 H LEU A 19 47.437 -0.016 -1.727 1.00 0.00 H new ATOM 0 HA LEU A 19 49.900 -0.345 -3.071 1.00 0.00 H new ATOM 0 HB2 LEU A 19 48.900 -1.057 -0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 19 50.575 -1.252 -0.745 1.00 0.00 H new ATOM 0 HG LEU A 19 49.116 1.399 -1.098 1.00 0.00 H new ATOM 0 HD11 LEU A 19 50.146 2.095 1.064 1.00 0.00 H new ATOM 0 HD12 LEU A 19 49.014 0.743 1.300 1.00 0.00 H new ATOM 0 HD13 LEU A 19 50.769 0.444 1.295 1.00 0.00 H new ATOM 0 HD21 LEU A 19 51.418 2.320 -1.090 1.00 0.00 H new ATOM 0 HD22 LEU A 19 52.075 0.679 -0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 19 51.213 1.109 -2.377 1.00 0.00 H new ATOM 259 N THR A 20 48.299 -3.111 -2.244 1.00 0.00 N ATOM 260 CA THR A 20 48.258 -4.549 -2.478 1.00 0.00 C ATOM 261 C THR A 20 48.263 -4.863 -3.968 1.00 0.00 C ATOM 262 O THR A 20 49.067 -5.667 -4.439 1.00 0.00 O ATOM 263 CB THR A 20 46.998 -5.139 -1.840 1.00 0.00 C ATOM 264 OG1 THR A 20 46.838 -4.612 -0.530 1.00 0.00 O ATOM 265 CG2 THR A 20 47.123 -6.662 -1.766 1.00 0.00 C ATOM 0 H THR A 20 47.522 -2.747 -1.692 1.00 0.00 H new ATOM 0 HA THR A 20 49.146 -4.992 -2.028 1.00 0.00 H new ATOM 0 HB THR A 20 46.131 -4.877 -2.446 1.00 0.00 H new ATOM 0 HG1 THR A 20 46.030 -4.989 -0.122 1.00 0.00 H new ATOM 0 HG21 THR A 20 46.224 -7.079 -1.311 1.00 0.00 H new ATOM 0 HG22 THR A 20 47.242 -7.067 -2.771 1.00 0.00 H new ATOM 0 HG23 THR A 20 47.991 -6.927 -1.163 1.00 0.00 H new ATOM 273 N VAL A 21 47.357 -4.235 -4.703 1.00 0.00 N ATOM 274 CA VAL A 21 47.257 -4.469 -6.138 1.00 0.00 C ATOM 275 C VAL A 21 48.429 -3.850 -6.896 1.00 0.00 C ATOM 276 O VAL A 21 48.747 -4.275 -8.004 1.00 0.00 O ATOM 277 CB VAL A 21 45.944 -3.892 -6.668 1.00 0.00 C ATOM 278 CG1 VAL A 21 45.866 -4.101 -8.181 1.00 0.00 C ATOM 279 CG2 VAL A 21 44.768 -4.601 -5.993 1.00 0.00 C ATOM 0 H VAL A 21 46.684 -3.563 -4.333 1.00 0.00 H new ATOM 0 HA VAL A 21 47.283 -5.547 -6.300 1.00 0.00 H new ATOM 0 HB VAL A 21 45.901 -2.825 -6.448 1.00 0.00 H new ATOM 0 HG11 VAL A 21 44.930 -3.689 -8.557 1.00 0.00 H new ATOM 0 HG12 VAL A 21 46.704 -3.596 -8.662 1.00 0.00 H new ATOM 0 HG13 VAL A 21 45.909 -5.167 -8.404 1.00 0.00 H new ATOM 0 HG21 VAL A 21 43.831 -4.191 -6.370 1.00 0.00 H new ATOM 0 HG22 VAL A 21 44.812 -5.668 -6.213 1.00 0.00 H new ATOM 0 HG23 VAL A 21 44.823 -4.450 -4.915 1.00 0.00 H new ATOM 289 N LEU A 22 49.053 -2.832 -6.316 1.00 0.00 N ATOM 290 CA LEU A 22 50.165 -2.166 -6.987 1.00 0.00 C ATOM 291 C LEU A 22 51.404 -3.056 -7.049 1.00 0.00 C ATOM 292 O LEU A 22 51.929 -3.320 -8.134 1.00 0.00 O ATOM 293 CB LEU A 22 50.500 -0.851 -6.265 1.00 0.00 C ATOM 294 CG LEU A 22 51.678 -0.136 -6.954 1.00 0.00 C ATOM 295 CD1 LEU A 22 51.351 0.133 -8.432 1.00 0.00 C ATOM 296 CD2 LEU A 22 51.941 1.194 -6.237 1.00 0.00 C ATOM 0 H LEU A 22 48.815 -2.454 -5.399 1.00 0.00 H new ATOM 0 HA LEU A 22 49.857 -1.954 -8.011 1.00 0.00 H new ATOM 0 HB2 LEU A 22 49.626 -0.200 -6.260 1.00 0.00 H new ATOM 0 HB3 LEU A 22 50.751 -1.056 -5.224 1.00 0.00 H new ATOM 0 HG LEU A 22 52.563 -0.771 -6.903 1.00 0.00 H new ATOM 0 HD11 LEU A 22 52.193 0.639 -8.905 1.00 0.00 H new ATOM 0 HD12 LEU A 22 51.163 -0.812 -8.941 1.00 0.00 H new ATOM 0 HD13 LEU A 22 50.465 0.764 -8.500 1.00 0.00 H new ATOM 0 HD21 LEU A 22 52.774 1.708 -6.717 1.00 0.00 H new ATOM 0 HD22 LEU A 22 51.049 1.819 -6.290 1.00 0.00 H new ATOM 0 HD23 LEU A 22 52.187 1.002 -5.193 1.00 0.00 H new ATOM 308 N ILE A 23 51.880 -3.523 -5.897 1.00 0.00 N ATOM 309 CA ILE A 23 53.058 -4.370 -5.884 1.00 0.00 C ATOM 310 C ILE A 23 52.698 -5.754 -6.418 1.00 0.00 C ATOM 311 O ILE A 23 53.480 -6.374 -7.138 1.00 0.00 O ATOM 312 CB ILE A 23 53.651 -4.489 -4.464 1.00 0.00 C ATOM 313 CG1 ILE A 23 53.525 -3.161 -3.677 1.00 0.00 C ATOM 314 CG2 ILE A 23 55.135 -4.889 -4.563 1.00 0.00 C ATOM 315 CD1 ILE A 23 54.524 -2.116 -4.183 1.00 0.00 C ATOM 0 H ILE A 23 51.474 -3.332 -4.981 1.00 0.00 H new ATOM 0 HA ILE A 23 53.814 -3.914 -6.523 1.00 0.00 H new ATOM 0 HB ILE A 23 53.088 -5.252 -3.926 1.00 0.00 H new ATOM 0 HG12 ILE A 23 52.511 -2.774 -3.773 1.00 0.00 H new ATOM 0 HG13 ILE A 23 53.696 -3.347 -2.617 1.00 0.00 H new ATOM 0 HG21 ILE A 23 55.557 -4.974 -3.561 1.00 0.00 H new ATOM 0 HG22 ILE A 23 55.220 -5.848 -5.075 1.00 0.00 H new ATOM 0 HG23 ILE A 23 55.680 -4.129 -5.123 1.00 0.00 H new ATOM 0 HD11 ILE A 23 54.410 -1.196 -3.610 1.00 0.00 H new ATOM 0 HD12 ILE A 23 55.539 -2.495 -4.063 1.00 0.00 H new ATOM 0 HD13 ILE A 23 54.335 -1.913 -5.237 1.00 0.00 H new ATOM 327 N ALA A 24 51.503 -6.233 -6.068 1.00 0.00 N ATOM 328 CA ALA A 24 51.059 -7.541 -6.532 1.00 0.00 C ATOM 329 C ALA A 24 50.983 -7.558 -8.053 1.00 0.00 C ATOM 330 O ALA A 24 51.333 -8.549 -8.692 1.00 0.00 O ATOM 331 CB ALA A 24 49.686 -7.877 -5.945 1.00 0.00 C ATOM 0 H ALA A 24 50.836 -5.741 -5.473 1.00 0.00 H new ATOM 0 HA ALA A 24 51.779 -8.289 -6.199 1.00 0.00 H new ATOM 0 HB1 ALA A 24 49.368 -8.857 -6.301 1.00 0.00 H new ATOM 0 HB2 ALA A 24 49.749 -7.889 -4.857 1.00 0.00 H new ATOM 0 HB3 ALA A 24 48.962 -7.125 -6.259 1.00 0.00 H new ATOM 337 N LEU A 25 50.533 -6.447 -8.630 1.00 0.00 N ATOM 338 CA LEU A 25 50.433 -6.348 -10.078 1.00 0.00 C ATOM 339 C LEU A 25 51.830 -6.274 -10.684 1.00 0.00 C ATOM 340 O LEU A 25 52.084 -6.821 -11.756 1.00 0.00 O ATOM 341 CB LEU A 25 49.616 -5.109 -10.467 1.00 0.00 C ATOM 342 CG LEU A 25 49.627 -4.907 -11.989 1.00 0.00 C ATOM 343 CD1 LEU A 25 49.141 -6.180 -12.696 1.00 0.00 C ATOM 344 CD2 LEU A 25 48.697 -3.741 -12.342 1.00 0.00 C ATOM 0 H LEU A 25 50.236 -5.614 -8.122 1.00 0.00 H new ATOM 0 HA LEU A 25 49.925 -7.232 -10.464 1.00 0.00 H new ATOM 0 HB2 LEU A 25 48.590 -5.220 -10.117 1.00 0.00 H new ATOM 0 HB3 LEU A 25 50.027 -4.227 -9.975 1.00 0.00 H new ATOM 0 HG LEU A 25 50.643 -4.689 -12.317 1.00 0.00 H new ATOM 0 HD11 LEU A 25 49.153 -6.024 -13.775 1.00 0.00 H new ATOM 0 HD12 LEU A 25 49.799 -7.011 -12.442 1.00 0.00 H new ATOM 0 HD13 LEU A 25 48.125 -6.410 -12.374 1.00 0.00 H new ATOM 0 HD21 LEU A 25 48.698 -3.589 -13.421 1.00 0.00 H new ATOM 0 HD22 LEU A 25 47.685 -3.969 -12.008 1.00 0.00 H new ATOM 0 HD23 LEU A 25 49.046 -2.834 -11.848 1.00 0.00 H new ATOM 356 N ALA A 26 52.732 -5.587 -9.989 1.00 0.00 N ATOM 357 CA ALA A 26 54.102 -5.445 -10.469 1.00 0.00 C ATOM 358 C ALA A 26 54.804 -6.800 -10.543 1.00 0.00 C ATOM 359 O ALA A 26 55.336 -7.174 -11.591 1.00 0.00 O ATOM 360 CB ALA A 26 54.885 -4.516 -9.538 1.00 0.00 C ATOM 0 H ALA A 26 52.542 -5.124 -9.100 1.00 0.00 H new ATOM 0 HA ALA A 26 54.066 -5.019 -11.472 1.00 0.00 H new ATOM 0 HB1 ALA A 26 55.907 -4.414 -9.902 1.00 0.00 H new ATOM 0 HB2 ALA A 26 54.408 -3.536 -9.516 1.00 0.00 H new ATOM 0 HB3 ALA A 26 54.898 -4.936 -8.532 1.00 0.00 H new ATOM 366 N VAL A 27 54.814 -7.534 -9.430 1.00 0.00 N ATOM 367 CA VAL A 27 55.471 -8.839 -9.402 1.00 0.00 C ATOM 368 C VAL A 27 54.755 -9.839 -10.304 1.00 0.00 C ATOM 369 O VAL A 27 55.397 -10.608 -11.021 1.00 0.00 O ATOM 370 CB VAL A 27 55.508 -9.378 -7.970 1.00 0.00 C ATOM 371 CG1 VAL A 27 56.182 -8.352 -7.055 1.00 0.00 C ATOM 372 CG2 VAL A 27 54.082 -9.640 -7.486 1.00 0.00 C ATOM 0 H VAL A 27 54.382 -7.253 -8.550 1.00 0.00 H new ATOM 0 HA VAL A 27 56.488 -8.709 -9.771 1.00 0.00 H new ATOM 0 HB VAL A 27 56.074 -10.309 -7.947 1.00 0.00 H new ATOM 0 HG11 VAL A 27 56.208 -8.736 -6.035 1.00 0.00 H new ATOM 0 HG12 VAL A 27 57.200 -8.169 -7.400 1.00 0.00 H new ATOM 0 HG13 VAL A 27 55.619 -7.419 -7.077 1.00 0.00 H new ATOM 0 HG21 VAL A 27 54.109 -10.024 -6.466 1.00 0.00 H new ATOM 0 HG22 VAL A 27 53.513 -8.710 -7.509 1.00 0.00 H new ATOM 0 HG23 VAL A 27 53.606 -10.373 -8.137 1.00 0.00 H new ATOM 382 N TYR A 28 53.430 -9.834 -10.261 1.00 0.00 N ATOM 383 CA TYR A 28 52.648 -10.756 -11.076 1.00 0.00 C ATOM 384 C TYR A 28 52.925 -10.538 -12.561 1.00 0.00 C ATOM 385 O TYR A 28 53.109 -11.494 -13.315 1.00 0.00 O ATOM 386 CB TYR A 28 51.156 -10.562 -10.802 1.00 0.00 C ATOM 387 CG TYR A 28 50.361 -11.548 -11.626 1.00 0.00 C ATOM 388 CD1 TYR A 28 50.200 -12.864 -11.176 1.00 0.00 C ATOM 389 CD2 TYR A 28 49.786 -11.147 -12.838 1.00 0.00 C ATOM 390 CE1 TYR A 28 49.464 -13.779 -11.938 1.00 0.00 C ATOM 391 CE2 TYR A 28 49.050 -12.063 -13.600 1.00 0.00 C ATOM 392 CZ TYR A 28 48.889 -13.378 -13.150 1.00 0.00 C ATOM 393 OH TYR A 28 48.164 -14.280 -13.901 1.00 0.00 O ATOM 0 H TYR A 28 52.877 -9.208 -9.676 1.00 0.00 H new ATOM 0 HA TYR A 28 52.939 -11.773 -10.811 1.00 0.00 H new ATOM 0 HB2 TYR A 28 50.948 -10.707 -9.742 1.00 0.00 H new ATOM 0 HB3 TYR A 28 50.859 -9.543 -11.049 1.00 0.00 H new ATOM 0 HD1 TYR A 28 50.644 -13.173 -10.241 1.00 0.00 H new ATOM 0 HD2 TYR A 28 49.910 -10.132 -13.185 1.00 0.00 H new ATOM 0 HE1 TYR A 28 49.340 -14.794 -11.591 1.00 0.00 H new ATOM 0 HE2 TYR A 28 48.607 -11.754 -14.535 1.00 0.00 H new ATOM 0 HH TYR A 28 47.833 -13.840 -14.712 1.00 0.00 H new ATOM 403 N PHE A 29 52.944 -9.277 -12.977 1.00 0.00 N ATOM 404 CA PHE A 29 53.189 -8.947 -14.376 1.00 0.00 C ATOM 405 C PHE A 29 54.573 -9.416 -14.817 1.00 0.00 C ATOM 406 O PHE A 29 54.704 -10.123 -15.817 1.00 0.00 O ATOM 407 CB PHE A 29 53.074 -7.436 -14.584 1.00 0.00 C ATOM 408 CG PHE A 29 53.365 -7.101 -16.027 1.00 0.00 C ATOM 409 CD1 PHE A 29 52.403 -7.355 -17.012 1.00 0.00 C ATOM 410 CD2 PHE A 29 54.597 -6.537 -16.384 1.00 0.00 C ATOM 411 CE1 PHE A 29 52.671 -7.045 -18.351 1.00 0.00 C ATOM 412 CE2 PHE A 29 54.865 -6.227 -17.722 1.00 0.00 C ATOM 413 CZ PHE A 29 53.902 -6.481 -18.705 1.00 0.00 C ATOM 0 H PHE A 29 52.794 -8.471 -12.370 1.00 0.00 H new ATOM 0 HA PHE A 29 52.440 -9.460 -14.979 1.00 0.00 H new ATOM 0 HB2 PHE A 29 52.073 -7.097 -14.316 1.00 0.00 H new ATOM 0 HB3 PHE A 29 53.773 -6.914 -13.931 1.00 0.00 H new ATOM 0 HD1 PHE A 29 51.453 -7.790 -16.739 1.00 0.00 H new ATOM 0 HD2 PHE A 29 55.341 -6.341 -15.626 1.00 0.00 H new ATOM 0 HE1 PHE A 29 51.928 -7.241 -19.110 1.00 0.00 H new ATOM 0 HE2 PHE A 29 55.815 -5.792 -17.996 1.00 0.00 H new ATOM 0 HZ PHE A 29 54.109 -6.242 -19.738 1.00 0.00 H new ATOM 567 N GLY B 7 40.057 1.527 16.566 1.00 0.00 N ATOM 568 CA GLY B 7 41.426 1.059 16.703 1.00 0.00 C ATOM 569 C GLY B 7 41.784 0.171 15.522 1.00 0.00 C ATOM 570 O GLY B 7 42.943 0.099 15.106 1.00 0.00 O ATOM 0 HA2 GLY B 7 42.108 1.908 16.752 1.00 0.00 H new ATOM 0 HA3 GLY B 7 41.540 0.505 17.635 1.00 0.00 H new ATOM 574 N VAL B 8 40.773 -0.498 14.976 1.00 0.00 N ATOM 575 CA VAL B 8 40.986 -1.370 13.835 1.00 0.00 C ATOM 576 C VAL B 8 41.575 -0.572 12.678 1.00 0.00 C ATOM 577 O VAL B 8 42.492 -1.038 12.002 1.00 0.00 O ATOM 578 CB VAL B 8 39.670 -2.029 13.414 1.00 0.00 C ATOM 579 CG1 VAL B 8 38.730 -0.982 12.811 1.00 0.00 C ATOM 580 CG2 VAL B 8 39.958 -3.120 12.378 1.00 0.00 C ATOM 0 H VAL B 8 39.808 -0.452 15.304 1.00 0.00 H new ATOM 0 HA VAL B 8 41.688 -2.155 14.116 1.00 0.00 H new ATOM 0 HB VAL B 8 39.193 -2.471 14.289 1.00 0.00 H new ATOM 0 HG11 VAL B 8 37.796 -1.459 12.514 1.00 0.00 H new ATOM 0 HG12 VAL B 8 38.523 -0.209 13.551 1.00 0.00 H new ATOM 0 HG13 VAL B 8 39.200 -0.531 11.937 1.00 0.00 H new ATOM 0 HG21 VAL B 8 39.023 -3.591 12.076 1.00 0.00 H new ATOM 0 HG22 VAL B 8 40.439 -2.676 11.506 1.00 0.00 H new ATOM 0 HG23 VAL B 8 40.618 -3.870 12.813 1.00 0.00 H new ATOM 590 N LEU B 9 41.072 0.647 12.466 1.00 0.00 N ATOM 591 CA LEU B 9 41.613 1.480 11.390 1.00 0.00 C ATOM 592 C LEU B 9 43.119 1.653 11.614 1.00 0.00 C ATOM 593 O LEU B 9 43.924 1.401 10.716 1.00 0.00 O ATOM 594 CB LEU B 9 40.909 2.854 11.360 1.00 0.00 C ATOM 595 CG LEU B 9 39.763 2.877 10.322 1.00 0.00 C ATOM 596 CD1 LEU B 9 40.327 2.783 8.880 1.00 0.00 C ATOM 597 CD2 LEU B 9 38.794 1.712 10.589 1.00 0.00 C ATOM 0 H LEU B 9 40.316 1.068 13.005 1.00 0.00 H new ATOM 0 HA LEU B 9 41.437 0.996 10.429 1.00 0.00 H new ATOM 0 HB2 LEU B 9 40.511 3.083 12.349 1.00 0.00 H new ATOM 0 HB3 LEU B 9 41.635 3.631 11.121 1.00 0.00 H new ATOM 0 HG LEU B 9 39.225 3.820 10.418 1.00 0.00 H new ATOM 0 HD11 LEU B 9 39.504 2.801 8.166 1.00 0.00 H new ATOM 0 HD12 LEU B 9 40.989 3.629 8.692 1.00 0.00 H new ATOM 0 HD13 LEU B 9 40.885 1.853 8.767 1.00 0.00 H new ATOM 0 HD21 LEU B 9 37.989 1.733 9.855 1.00 0.00 H new ATOM 0 HD22 LEU B 9 39.331 0.767 10.511 1.00 0.00 H new ATOM 0 HD23 LEU B 9 38.375 1.810 11.590 1.00 0.00 H new ATOM 609 N ALA B 10 43.496 2.048 12.830 1.00 0.00 N ATOM 610 CA ALA B 10 44.909 2.204 13.154 1.00 0.00 C ATOM 611 C ALA B 10 45.624 0.909 12.801 1.00 0.00 C ATOM 612 O ALA B 10 46.794 0.890 12.408 1.00 0.00 O ATOM 613 CB ALA B 10 45.080 2.499 14.646 1.00 0.00 C ATOM 0 H ALA B 10 42.854 2.262 13.593 1.00 0.00 H new ATOM 0 HA ALA B 10 45.330 3.036 12.589 1.00 0.00 H new ATOM 0 HB1 ALA B 10 46.139 2.613 14.875 1.00 0.00 H new ATOM 0 HB2 ALA B 10 44.553 3.419 14.898 1.00 0.00 H new ATOM 0 HB3 ALA B 10 44.670 1.675 15.229 1.00 0.00 H new ATOM 619 N GLY B 11 44.881 -0.178 12.925 1.00 0.00 N ATOM 620 CA GLY B 11 45.408 -1.495 12.603 1.00 0.00 C ATOM 621 C GLY B 11 45.679 -1.592 11.109 1.00 0.00 C ATOM 622 O GLY B 11 46.623 -2.254 10.670 1.00 0.00 O ATOM 0 H GLY B 11 43.913 -0.176 13.246 1.00 0.00 H new ATOM 0 HA2 GLY B 11 46.327 -1.675 13.161 1.00 0.00 H new ATOM 0 HA3 GLY B 11 44.697 -2.264 12.903 1.00 0.00 H new ATOM 626 N ILE B 12 44.834 -0.929 10.329 1.00 0.00 N ATOM 627 CA ILE B 12 44.980 -0.945 8.882 1.00 0.00 C ATOM 628 C ILE B 12 46.162 -0.070 8.441 1.00 0.00 C ATOM 629 O ILE B 12 46.768 -0.350 7.416 1.00 0.00 O ATOM 630 CB ILE B 12 43.659 -0.496 8.203 1.00 0.00 C ATOM 631 CG1 ILE B 12 42.689 -1.690 8.062 1.00 0.00 C ATOM 632 CG2 ILE B 12 43.941 0.071 6.804 1.00 0.00 C ATOM 633 CD1 ILE B 12 42.140 -2.099 9.430 1.00 0.00 C ATOM 0 H ILE B 12 44.047 -0.378 10.672 1.00 0.00 H new ATOM 0 HA ILE B 12 45.193 -1.966 8.565 1.00 0.00 H new ATOM 0 HB ILE B 12 43.207 0.273 8.830 1.00 0.00 H new ATOM 0 HG12 ILE B 12 41.867 -1.422 7.399 1.00 0.00 H new ATOM 0 HG13 ILE B 12 43.205 -2.534 7.604 1.00 0.00 H new ATOM 0 HG21 ILE B 12 43.004 0.381 6.341 1.00 0.00 H new ATOM 0 HG22 ILE B 12 44.607 0.930 6.887 1.00 0.00 H new ATOM 0 HG23 ILE B 12 44.413 -0.695 6.189 1.00 0.00 H new ATOM 0 HD11 ILE B 12 41.459 -2.941 9.312 1.00 0.00 H new ATOM 0 HD12 ILE B 12 42.965 -2.388 10.081 1.00 0.00 H new ATOM 0 HD13 ILE B 12 41.605 -1.259 9.873 1.00 0.00 H new ATOM 645 N VAL B 13 46.495 0.984 9.196 1.00 0.00 N ATOM 646 CA VAL B 13 47.632 1.831 8.794 1.00 0.00 C ATOM 647 C VAL B 13 48.942 1.079 9.027 1.00 0.00 C ATOM 648 O VAL B 13 49.817 1.052 8.156 1.00 0.00 O ATOM 649 CB VAL B 13 47.647 3.216 9.509 1.00 0.00 C ATOM 650 CG1 VAL B 13 46.224 3.674 9.836 1.00 0.00 C ATOM 651 CG2 VAL B 13 48.477 3.177 10.803 1.00 0.00 C ATOM 0 H VAL B 13 46.019 1.266 10.053 1.00 0.00 H new ATOM 0 HA VAL B 13 47.518 2.045 7.731 1.00 0.00 H new ATOM 0 HB VAL B 13 48.108 3.925 8.821 1.00 0.00 H new ATOM 0 HG11 VAL B 13 46.259 4.643 10.335 1.00 0.00 H new ATOM 0 HG12 VAL B 13 45.649 3.761 8.914 1.00 0.00 H new ATOM 0 HG13 VAL B 13 45.749 2.945 10.493 1.00 0.00 H new ATOM 0 HG21 VAL B 13 48.464 4.160 11.273 1.00 0.00 H new ATOM 0 HG22 VAL B 13 48.051 2.442 11.486 1.00 0.00 H new ATOM 0 HG23 VAL B 13 49.505 2.901 10.568 1.00 0.00 H new ATOM 661 N VAL B 14 49.070 0.446 10.195 1.00 0.00 N ATOM 662 CA VAL B 14 50.283 -0.315 10.478 1.00 0.00 C ATOM 663 C VAL B 14 50.406 -1.447 9.462 1.00 0.00 C ATOM 664 O VAL B 14 51.492 -1.749 8.962 1.00 0.00 O ATOM 665 CB VAL B 14 50.251 -0.875 11.904 1.00 0.00 C ATOM 666 CG1 VAL B 14 48.945 -1.629 12.126 1.00 0.00 C ATOM 667 CG2 VAL B 14 51.432 -1.827 12.110 1.00 0.00 C ATOM 0 H VAL B 14 48.371 0.445 10.938 1.00 0.00 H new ATOM 0 HA VAL B 14 51.149 0.343 10.398 1.00 0.00 H new ATOM 0 HB VAL B 14 50.322 -0.053 12.616 1.00 0.00 H new ATOM 0 HG11 VAL B 14 48.923 -2.027 13.140 1.00 0.00 H new ATOM 0 HG12 VAL B 14 48.104 -0.950 11.984 1.00 0.00 H new ATOM 0 HG13 VAL B 14 48.873 -2.450 11.412 1.00 0.00 H new ATOM 0 HG21 VAL B 14 51.407 -2.224 13.125 1.00 0.00 H new ATOM 0 HG22 VAL B 14 51.365 -2.649 11.397 1.00 0.00 H new ATOM 0 HG23 VAL B 14 52.366 -1.287 11.955 1.00 0.00 H new ATOM 677 N GLY B 15 49.279 -2.060 9.142 1.00 0.00 N ATOM 678 CA GLY B 15 49.273 -3.137 8.169 1.00 0.00 C ATOM 679 C GLY B 15 49.551 -2.598 6.767 1.00 0.00 C ATOM 680 O GLY B 15 50.082 -3.305 5.918 1.00 0.00 O ATOM 0 H GLY B 15 48.366 -1.833 9.537 1.00 0.00 H new ATOM 0 HA2 GLY B 15 50.026 -3.879 8.435 1.00 0.00 H new ATOM 0 HA3 GLY B 15 48.308 -3.643 8.185 1.00 0.00 H new ATOM 684 N ASP B 16 49.165 -1.344 6.533 1.00 0.00 N ATOM 685 CA ASP B 16 49.341 -0.718 5.222 1.00 0.00 C ATOM 686 C ASP B 16 50.812 -0.519 4.871 1.00 0.00 C ATOM 687 O ASP B 16 51.300 -1.092 3.892 1.00 0.00 O ATOM 688 CB ASP B 16 48.626 0.636 5.196 1.00 0.00 C ATOM 689 CG ASP B 16 48.807 1.300 3.836 1.00 0.00 C ATOM 690 OD1 ASP B 16 49.943 1.500 3.442 1.00 0.00 O ATOM 691 OD2 ASP B 16 47.803 1.601 3.212 1.00 0.00 O ATOM 0 H ASP B 16 48.729 -0.742 7.232 1.00 0.00 H new ATOM 0 HA ASP B 16 48.909 -1.389 4.480 1.00 0.00 H new ATOM 0 HB2 ASP B 16 47.565 0.499 5.404 1.00 0.00 H new ATOM 0 HB3 ASP B 16 49.024 1.281 5.980 1.00 0.00 H new ATOM 696 N LEU B 17 51.530 0.287 5.654 1.00 0.00 N ATOM 697 CA LEU B 17 52.940 0.502 5.346 1.00 0.00 C ATOM 698 C LEU B 17 53.704 -0.811 5.484 1.00 0.00 C ATOM 699 O LEU B 17 54.698 -1.026 4.789 1.00 0.00 O ATOM 700 CB LEU B 17 53.558 1.676 6.162 1.00 0.00 C ATOM 701 CG LEU B 17 54.005 1.304 7.596 1.00 0.00 C ATOM 702 CD1 LEU B 17 52.836 0.719 8.385 1.00 0.00 C ATOM 703 CD2 LEU B 17 55.207 0.329 7.583 1.00 0.00 C ATOM 0 H LEU B 17 51.176 0.782 6.472 1.00 0.00 H new ATOM 0 HA LEU B 17 53.026 0.822 4.308 1.00 0.00 H new ATOM 0 HB2 LEU B 17 54.418 2.065 5.618 1.00 0.00 H new ATOM 0 HB3 LEU B 17 52.827 2.483 6.222 1.00 0.00 H new ATOM 0 HG LEU B 17 54.334 2.218 8.091 1.00 0.00 H new ATOM 0 HD11 LEU B 17 53.168 0.463 9.391 1.00 0.00 H new ATOM 0 HD12 LEU B 17 52.033 1.454 8.444 1.00 0.00 H new ATOM 0 HD13 LEU B 17 52.471 -0.178 7.884 1.00 0.00 H new ATOM 0 HD21 LEU B 17 55.493 0.090 8.607 1.00 0.00 H new ATOM 0 HD22 LEU B 17 54.927 -0.586 7.062 1.00 0.00 H new ATOM 0 HD23 LEU B 17 56.048 0.796 7.071 1.00 0.00 H new ATOM 715 N VAL B 18 53.216 -1.718 6.339 1.00 0.00 N ATOM 716 CA VAL B 18 53.866 -3.017 6.475 1.00 0.00 C ATOM 717 C VAL B 18 53.655 -3.810 5.178 1.00 0.00 C ATOM 718 O VAL B 18 54.480 -4.646 4.813 1.00 0.00 O ATOM 719 CB VAL B 18 53.289 -3.786 7.683 1.00 0.00 C ATOM 720 CG1 VAL B 18 53.561 -5.292 7.547 1.00 0.00 C ATOM 721 CG2 VAL B 18 53.945 -3.284 8.976 1.00 0.00 C ATOM 0 H VAL B 18 52.396 -1.579 6.930 1.00 0.00 H new ATOM 0 HA VAL B 18 54.933 -2.878 6.649 1.00 0.00 H new ATOM 0 HB VAL B 18 52.213 -3.616 7.714 1.00 0.00 H new ATOM 0 HG11 VAL B 18 53.146 -5.816 8.408 1.00 0.00 H new ATOM 0 HG12 VAL B 18 53.094 -5.665 6.636 1.00 0.00 H new ATOM 0 HG13 VAL B 18 54.636 -5.465 7.500 1.00 0.00 H new ATOM 0 HG21 VAL B 18 53.536 -3.829 9.827 1.00 0.00 H new ATOM 0 HG22 VAL B 18 55.022 -3.447 8.925 1.00 0.00 H new ATOM 0 HG23 VAL B 18 53.744 -2.219 9.096 1.00 0.00 H new ATOM 731 N LEU B 19 52.544 -3.536 4.490 1.00 0.00 N ATOM 732 CA LEU B 19 52.234 -4.222 3.236 1.00 0.00 C ATOM 733 C LEU B 19 53.211 -3.788 2.143 1.00 0.00 C ATOM 734 O LEU B 19 53.880 -4.616 1.522 1.00 0.00 O ATOM 735 CB LEU B 19 50.792 -3.877 2.812 1.00 0.00 C ATOM 736 CG LEU B 19 50.227 -4.956 1.885 1.00 0.00 C ATOM 737 CD1 LEU B 19 48.771 -4.617 1.544 1.00 0.00 C ATOM 738 CD2 LEU B 19 51.054 -5.024 0.596 1.00 0.00 C ATOM 0 H LEU B 19 51.849 -2.848 4.779 1.00 0.00 H new ATOM 0 HA LEU B 19 52.327 -5.298 3.382 1.00 0.00 H new ATOM 0 HB2 LEU B 19 50.161 -3.783 3.696 1.00 0.00 H new ATOM 0 HB3 LEU B 19 50.778 -2.912 2.306 1.00 0.00 H new ATOM 0 HG LEU B 19 50.272 -5.923 2.387 1.00 0.00 H new ATOM 0 HD11 LEU B 19 48.364 -5.383 0.884 1.00 0.00 H new ATOM 0 HD12 LEU B 19 48.182 -4.578 2.461 1.00 0.00 H new ATOM 0 HD13 LEU B 19 48.730 -3.649 1.045 1.00 0.00 H new ATOM 0 HD21 LEU B 19 50.645 -5.794 -0.058 1.00 0.00 H new ATOM 0 HD22 LEU B 19 51.017 -4.060 0.089 1.00 0.00 H new ATOM 0 HD23 LEU B 19 52.088 -5.266 0.840 1.00 0.00 H new ATOM 750 N THR B 20 53.287 -2.481 1.918 1.00 0.00 N ATOM 751 CA THR B 20 54.175 -1.941 0.893 1.00 0.00 C ATOM 752 C THR B 20 55.621 -2.356 1.138 1.00 0.00 C ATOM 753 O THR B 20 56.324 -2.767 0.215 1.00 0.00 O ATOM 754 CB THR B 20 54.094 -0.413 0.884 1.00 0.00 C ATOM 755 OG1 THR B 20 52.734 -0.013 0.944 1.00 0.00 O ATOM 756 CG2 THR B 20 54.731 0.129 -0.396 1.00 0.00 C ATOM 0 H THR B 20 52.749 -1.780 2.427 1.00 0.00 H new ATOM 0 HA THR B 20 53.853 -2.341 -0.068 1.00 0.00 H new ATOM 0 HB THR B 20 54.629 -0.017 1.747 1.00 0.00 H new ATOM 0 HG1 THR B 20 52.671 0.872 1.361 1.00 0.00 H new ATOM 0 HG21 THR B 20 54.672 1.217 -0.399 1.00 0.00 H new ATOM 0 HG22 THR B 20 55.776 -0.178 -0.440 1.00 0.00 H new ATOM 0 HG23 THR B 20 54.200 -0.266 -1.262 1.00 0.00 H new ATOM 764 N VAL B 21 56.065 -2.227 2.380 1.00 0.00 N ATOM 765 CA VAL B 21 57.436 -2.567 2.733 1.00 0.00 C ATOM 766 C VAL B 21 57.692 -4.069 2.634 1.00 0.00 C ATOM 767 O VAL B 21 58.745 -4.487 2.166 1.00 0.00 O ATOM 768 CB VAL B 21 57.740 -2.092 4.155 1.00 0.00 C ATOM 769 CG1 VAL B 21 59.162 -2.502 4.541 1.00 0.00 C ATOM 770 CG2 VAL B 21 57.617 -0.567 4.218 1.00 0.00 C ATOM 0 H VAL B 21 55.498 -1.890 3.158 1.00 0.00 H new ATOM 0 HA VAL B 21 58.093 -2.065 2.023 1.00 0.00 H new ATOM 0 HB VAL B 21 57.031 -2.546 4.848 1.00 0.00 H new ATOM 0 HG11 VAL B 21 59.376 -2.162 5.554 1.00 0.00 H new ATOM 0 HG12 VAL B 21 59.253 -3.587 4.495 1.00 0.00 H new ATOM 0 HG13 VAL B 21 59.872 -2.049 3.849 1.00 0.00 H new ATOM 0 HG21 VAL B 21 57.833 -0.226 5.230 1.00 0.00 H new ATOM 0 HG22 VAL B 21 58.326 -0.116 3.524 1.00 0.00 H new ATOM 0 HG23 VAL B 21 56.604 -0.272 3.944 1.00 0.00 H new ATOM 780 N LEU B 22 56.743 -4.873 3.099 1.00 0.00 N ATOM 781 CA LEU B 22 56.908 -6.327 3.079 1.00 0.00 C ATOM 782 C LEU B 22 57.115 -6.857 1.659 1.00 0.00 C ATOM 783 O LEU B 22 58.120 -7.514 1.376 1.00 0.00 O ATOM 784 CB LEU B 22 55.673 -6.988 3.709 1.00 0.00 C ATOM 785 CG LEU B 22 55.739 -8.517 3.563 1.00 0.00 C ATOM 786 CD1 LEU B 22 57.078 -9.043 4.095 1.00 0.00 C ATOM 787 CD2 LEU B 22 54.593 -9.141 4.366 1.00 0.00 C ATOM 0 H LEU B 22 55.859 -4.550 3.491 1.00 0.00 H new ATOM 0 HA LEU B 22 57.800 -6.574 3.655 1.00 0.00 H new ATOM 0 HB2 LEU B 22 55.610 -6.721 4.764 1.00 0.00 H new ATOM 0 HB3 LEU B 22 54.769 -6.611 3.231 1.00 0.00 H new ATOM 0 HG LEU B 22 55.650 -8.783 2.510 1.00 0.00 H new ATOM 0 HD11 LEU B 22 57.112 -10.127 3.986 1.00 0.00 H new ATOM 0 HD12 LEU B 22 57.895 -8.595 3.530 1.00 0.00 H new ATOM 0 HD13 LEU B 22 57.179 -8.781 5.148 1.00 0.00 H new ATOM 0 HD21 LEU B 22 54.630 -10.226 4.270 1.00 0.00 H new ATOM 0 HD22 LEU B 22 54.693 -8.866 5.416 1.00 0.00 H new ATOM 0 HD23 LEU B 22 53.640 -8.775 3.984 1.00 0.00 H new ATOM 799 N ILE B 23 56.170 -6.579 0.766 1.00 0.00 N ATOM 800 CA ILE B 23 56.295 -7.055 -0.607 1.00 0.00 C ATOM 801 C ILE B 23 57.498 -6.398 -1.277 1.00 0.00 C ATOM 802 O ILE B 23 58.272 -7.060 -1.968 1.00 0.00 O ATOM 803 CB ILE B 23 55.006 -6.780 -1.388 1.00 0.00 C ATOM 804 CG1 ILE B 23 53.831 -7.368 -0.607 1.00 0.00 C ATOM 805 CG2 ILE B 23 55.073 -7.452 -2.766 1.00 0.00 C ATOM 806 CD1 ILE B 23 52.521 -7.048 -1.325 1.00 0.00 C ATOM 0 H ILE B 23 55.327 -6.039 0.962 1.00 0.00 H new ATOM 0 HA ILE B 23 56.455 -8.133 -0.598 1.00 0.00 H new ATOM 0 HB ILE B 23 54.881 -5.705 -1.520 1.00 0.00 H new ATOM 0 HG12 ILE B 23 53.950 -8.447 -0.511 1.00 0.00 H new ATOM 0 HG13 ILE B 23 53.812 -6.959 0.403 1.00 0.00 H new ATOM 0 HG21 ILE B 23 54.152 -7.251 -3.314 1.00 0.00 H new ATOM 0 HG22 ILE B 23 55.921 -7.055 -3.324 1.00 0.00 H new ATOM 0 HG23 ILE B 23 55.193 -8.528 -2.641 1.00 0.00 H new ATOM 0 HD11 ILE B 23 51.687 -7.469 -0.764 1.00 0.00 H new ATOM 0 HD12 ILE B 23 52.401 -5.967 -1.398 1.00 0.00 H new ATOM 0 HD13 ILE B 23 52.540 -7.479 -2.326 1.00 0.00 H new ATOM 818 N ALA B 24 57.674 -5.098 -1.043 1.00 0.00 N ATOM 819 CA ALA B 24 58.815 -4.394 -1.610 1.00 0.00 C ATOM 820 C ALA B 24 60.101 -5.121 -1.216 1.00 0.00 C ATOM 821 O ALA B 24 61.079 -5.145 -1.966 1.00 0.00 O ATOM 822 CB ALA B 24 58.857 -2.955 -1.093 1.00 0.00 C ATOM 0 H ALA B 24 57.052 -4.523 -0.475 1.00 0.00 H new ATOM 0 HA ALA B 24 58.722 -4.374 -2.696 1.00 0.00 H new ATOM 0 HB1 ALA B 24 59.715 -2.438 -1.524 1.00 0.00 H new ATOM 0 HB2 ALA B 24 57.941 -2.439 -1.379 1.00 0.00 H new ATOM 0 HB3 ALA B 24 58.946 -2.961 -0.007 1.00 0.00 H new ATOM 828 N LEU B 25 60.080 -5.725 -0.028 1.00 0.00 N ATOM 829 CA LEU B 25 61.232 -6.468 0.469 1.00 0.00 C ATOM 830 C LEU B 25 61.410 -7.742 -0.352 1.00 0.00 C ATOM 831 O LEU B 25 62.519 -8.086 -0.754 1.00 0.00 O ATOM 832 CB LEU B 25 61.023 -6.820 1.959 1.00 0.00 C ATOM 833 CG LEU B 25 62.367 -6.935 2.708 1.00 0.00 C ATOM 834 CD1 LEU B 25 63.320 -7.867 1.953 1.00 0.00 C ATOM 835 CD2 LEU B 25 63.019 -5.546 2.872 1.00 0.00 C ATOM 0 H LEU B 25 59.280 -5.713 0.604 1.00 0.00 H new ATOM 0 HA LEU B 25 62.128 -5.855 0.374 1.00 0.00 H new ATOM 0 HB2 LEU B 25 60.407 -6.055 2.431 1.00 0.00 H new ATOM 0 HB3 LEU B 25 60.479 -7.761 2.039 1.00 0.00 H new ATOM 0 HG LEU B 25 62.170 -7.350 3.696 1.00 0.00 H new ATOM 0 HD11 LEU B 25 64.264 -7.938 2.494 1.00 0.00 H new ATOM 0 HD12 LEU B 25 62.872 -8.858 1.873 1.00 0.00 H new ATOM 0 HD13 LEU B 25 63.503 -7.469 0.955 1.00 0.00 H new ATOM 0 HD21 LEU B 25 63.966 -5.649 3.403 1.00 0.00 H new ATOM 0 HD22 LEU B 25 63.199 -5.110 1.889 1.00 0.00 H new ATOM 0 HD23 LEU B 25 62.353 -4.896 3.440 1.00 0.00 H new ATOM 847 N ALA B 26 60.304 -8.440 -0.588 1.00 0.00 N ATOM 848 CA ALA B 26 60.345 -9.680 -1.356 1.00 0.00 C ATOM 849 C ALA B 26 61.047 -9.464 -2.695 1.00 0.00 C ATOM 850 O ALA B 26 61.972 -10.200 -3.043 1.00 0.00 O ATOM 851 CB ALA B 26 58.925 -10.194 -1.598 1.00 0.00 C ATOM 0 H ALA B 26 59.376 -8.172 -0.262 1.00 0.00 H new ATOM 0 HA ALA B 26 60.905 -10.419 -0.783 1.00 0.00 H new ATOM 0 HB1 ALA B 26 58.966 -11.120 -2.172 1.00 0.00 H new ATOM 0 HB2 ALA B 26 58.438 -10.382 -0.641 1.00 0.00 H new ATOM 0 HB3 ALA B 26 58.358 -9.447 -2.154 1.00 0.00 H new ATOM 857 N VAL B 27 60.606 -8.458 -3.445 1.00 0.00 N ATOM 858 CA VAL B 27 61.213 -8.175 -4.744 1.00 0.00 C ATOM 859 C VAL B 27 62.676 -7.771 -4.588 1.00 0.00 C ATOM 860 O VAL B 27 63.529 -8.191 -5.370 1.00 0.00 O ATOM 861 CB VAL B 27 60.450 -7.060 -5.462 1.00 0.00 C ATOM 862 CG1 VAL B 27 59.075 -7.575 -5.883 1.00 0.00 C ATOM 863 CG2 VAL B 27 60.274 -5.866 -4.523 1.00 0.00 C ATOM 0 H VAL B 27 59.843 -7.834 -3.183 1.00 0.00 H new ATOM 0 HA VAL B 27 61.162 -9.087 -5.339 1.00 0.00 H new ATOM 0 HB VAL B 27 61.013 -6.749 -6.342 1.00 0.00 H new ATOM 0 HG11 VAL B 27 58.530 -6.782 -6.395 1.00 0.00 H new ATOM 0 HG12 VAL B 27 59.195 -8.425 -6.555 1.00 0.00 H new ATOM 0 HG13 VAL B 27 58.517 -7.887 -5.000 1.00 0.00 H new ATOM 0 HG21 VAL B 27 59.730 -5.075 -5.039 1.00 0.00 H new ATOM 0 HG22 VAL B 27 59.714 -6.176 -3.641 1.00 0.00 H new ATOM 0 HG23 VAL B 27 61.253 -5.495 -4.219 1.00 0.00 H new ATOM 873 N TYR B 28 62.964 -6.952 -3.582 1.00 0.00 N ATOM 874 CA TYR B 28 64.332 -6.502 -3.350 1.00 0.00 C ATOM 875 C TYR B 28 65.263 -7.696 -3.151 1.00 0.00 C ATOM 876 O TYR B 28 66.351 -7.750 -3.725 1.00 0.00 O ATOM 877 CB TYR B 28 64.386 -5.599 -2.116 1.00 0.00 C ATOM 878 CG TYR B 28 65.795 -5.090 -1.927 1.00 0.00 C ATOM 879 CD1 TYR B 28 66.258 -4.013 -2.692 1.00 0.00 C ATOM 880 CD2 TYR B 28 66.639 -5.693 -0.986 1.00 0.00 C ATOM 881 CE1 TYR B 28 67.563 -3.539 -2.518 1.00 0.00 C ATOM 882 CE2 TYR B 28 67.945 -5.219 -0.811 1.00 0.00 C ATOM 883 CZ TYR B 28 68.407 -4.142 -1.578 1.00 0.00 C ATOM 884 OH TYR B 28 69.695 -3.675 -1.406 1.00 0.00 O ATOM 0 H TYR B 28 62.277 -6.589 -2.921 1.00 0.00 H new ATOM 0 HA TYR B 28 64.661 -5.940 -4.224 1.00 0.00 H new ATOM 0 HB2 TYR B 28 63.698 -4.762 -2.234 1.00 0.00 H new ATOM 0 HB3 TYR B 28 64.066 -6.152 -1.233 1.00 0.00 H new ATOM 0 HD1 TYR B 28 65.607 -3.547 -3.417 1.00 0.00 H new ATOM 0 HD2 TYR B 28 66.283 -6.524 -0.395 1.00 0.00 H new ATOM 0 HE1 TYR B 28 67.919 -2.708 -3.109 1.00 0.00 H new ATOM 0 HE2 TYR B 28 68.596 -5.684 -0.085 1.00 0.00 H new ATOM 0 HH TYR B 28 70.145 -4.204 -0.714 1.00 0.00 H new ATOM 894 N PHE B 29 64.827 -8.649 -2.335 1.00 0.00 N ATOM 895 CA PHE B 29 65.625 -9.838 -2.063 1.00 0.00 C ATOM 896 C PHE B 29 65.853 -10.638 -3.343 1.00 0.00 C ATOM 897 O PHE B 29 66.972 -11.067 -3.626 1.00 0.00 O ATOM 898 CB PHE B 29 64.917 -10.718 -1.031 1.00 0.00 C ATOM 899 CG PHE B 29 65.833 -11.842 -0.612 1.00 0.00 C ATOM 900 CD1 PHE B 29 66.737 -11.652 0.440 1.00 0.00 C ATOM 901 CD2 PHE B 29 65.778 -13.074 -1.275 1.00 0.00 C ATOM 902 CE1 PHE B 29 67.587 -12.694 0.829 1.00 0.00 C ATOM 903 CE2 PHE B 29 66.628 -14.116 -0.886 1.00 0.00 C ATOM 904 CZ PHE B 29 67.533 -13.927 0.165 1.00 0.00 C ATOM 0 H PHE B 29 63.929 -8.622 -1.852 1.00 0.00 H new ATOM 0 HA PHE B 29 66.591 -9.520 -1.670 1.00 0.00 H new ATOM 0 HB2 PHE B 29 64.634 -10.123 -0.163 1.00 0.00 H new ATOM 0 HB3 PHE B 29 63.997 -11.123 -1.453 1.00 0.00 H new ATOM 0 HD1 PHE B 29 66.779 -10.702 0.951 1.00 0.00 H new ATOM 0 HD2 PHE B 29 65.080 -13.220 -2.086 1.00 0.00 H new ATOM 0 HE1 PHE B 29 68.284 -12.548 1.641 1.00 0.00 H new ATOM 0 HE2 PHE B 29 66.585 -15.066 -1.397 1.00 0.00 H new ATOM 0 HZ PHE B 29 68.189 -14.731 0.464 1.00 0.00 H new