USER MOD reduce.3.24.130724 H: found=0, std=0, add=312, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 316 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 15 THR OG1 : rot 180:sc= 0.0142 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 15 THR OG1 : rot 20:sc= 0.379 USER MOD Single : C 17 MET CE :methyl 165:sc= 0 (180deg=-0.286) USER MOD Single : C 22 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 10 N LEU A 2 16.044 -5.524 5.666 1.00 0.00 N ATOM 11 CA LEU A 2 14.809 -5.531 4.879 1.00 0.00 C ATOM 12 C LEU A 2 14.090 -4.190 5.013 1.00 0.00 C ATOM 13 O LEU A 2 13.641 -3.615 4.021 1.00 0.00 O ATOM 14 CB LEU A 2 13.880 -6.665 5.364 1.00 0.00 C ATOM 15 CG LEU A 2 12.536 -6.606 4.588 1.00 0.00 C ATOM 16 CD1 LEU A 2 12.800 -6.730 3.063 1.00 0.00 C ATOM 17 CD2 LEU A 2 11.619 -7.768 5.055 1.00 0.00 C ATOM 0 HA LEU A 2 15.064 -5.696 3.832 1.00 0.00 H new ATOM 0 HB2 LEU A 2 14.359 -7.632 5.209 1.00 0.00 H new ATOM 0 HB3 LEU A 2 13.698 -6.567 6.434 1.00 0.00 H new ATOM 0 HG LEU A 2 12.047 -5.653 4.788 1.00 0.00 H new ATOM 0 HD11 LEU A 2 11.853 -6.688 2.525 1.00 0.00 H new ATOM 0 HD12 LEU A 2 13.439 -5.910 2.737 1.00 0.00 H new ATOM 0 HD13 LEU A 2 13.293 -7.680 2.855 1.00 0.00 H new ATOM 0 HD21 LEU A 2 10.675 -7.728 4.511 1.00 0.00 H new ATOM 0 HD22 LEU A 2 12.111 -8.721 4.859 1.00 0.00 H new ATOM 0 HD23 LEU A 2 11.426 -7.672 6.124 1.00 0.00 H new ATOM 29 N PHE A 3 13.989 -3.694 6.234 1.00 0.00 N ATOM 30 CA PHE A 3 13.327 -2.417 6.467 1.00 0.00 C ATOM 31 C PHE A 3 14.123 -1.287 5.824 1.00 0.00 C ATOM 32 O PHE A 3 13.549 -0.381 5.219 1.00 0.00 O ATOM 33 CB PHE A 3 13.176 -2.162 7.966 1.00 0.00 C ATOM 34 CG PHE A 3 12.172 -3.137 8.550 1.00 0.00 C ATOM 35 CD1 PHE A 3 10.807 -2.967 8.297 1.00 0.00 C ATOM 36 CD2 PHE A 3 12.610 -4.208 9.346 1.00 0.00 C ATOM 37 CE1 PHE A 3 9.877 -3.865 8.835 1.00 0.00 C ATOM 38 CE2 PHE A 3 11.679 -5.106 9.884 1.00 0.00 C ATOM 39 CZ PHE A 3 10.314 -4.933 9.629 1.00 0.00 C ATOM 0 H PHE A 3 14.352 -4.148 7.072 1.00 0.00 H new ATOM 0 HA PHE A 3 12.335 -2.453 6.016 1.00 0.00 H new ATOM 0 HB2 PHE A 3 14.139 -2.275 8.463 1.00 0.00 H new ATOM 0 HB3 PHE A 3 12.846 -1.138 8.139 1.00 0.00 H new ATOM 0 HD1 PHE A 3 10.470 -2.143 7.686 1.00 0.00 H new ATOM 0 HD2 PHE A 3 13.664 -4.339 9.543 1.00 0.00 H new ATOM 0 HE1 PHE A 3 8.823 -3.734 8.638 1.00 0.00 H new ATOM 0 HE2 PHE A 3 12.014 -5.931 10.495 1.00 0.00 H new ATOM 0 HZ PHE A 3 9.596 -5.624 10.045 1.00 0.00 H new ATOM 49 N GLY A 4 15.443 -1.343 5.949 1.00 0.00 N ATOM 50 CA GLY A 4 16.296 -0.318 5.367 1.00 0.00 C ATOM 51 C GLY A 4 16.070 -0.216 3.860 1.00 0.00 C ATOM 52 O GLY A 4 16.076 0.877 3.294 1.00 0.00 O ATOM 0 H GLY A 4 15.942 -2.082 6.444 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.089 0.644 5.836 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.342 -0.552 5.568 1.00 0.00 H new ATOM 56 N ALA A 5 15.877 -1.368 3.217 1.00 0.00 N ATOM 57 CA ALA A 5 15.657 -1.404 1.771 1.00 0.00 C ATOM 58 C ALA A 5 14.344 -0.709 1.401 1.00 0.00 C ATOM 59 O ALA A 5 14.284 0.047 0.433 1.00 0.00 O ATOM 60 CB ALA A 5 15.622 -2.868 1.289 1.00 0.00 C ATOM 0 H ALA A 5 15.868 -2.282 3.670 1.00 0.00 H new ATOM 0 HA ALA A 5 16.476 -0.875 1.284 1.00 0.00 H new ATOM 0 HB1 ALA A 5 15.458 -2.893 0.212 1.00 0.00 H new ATOM 0 HB2 ALA A 5 16.571 -3.351 1.523 1.00 0.00 H new ATOM 0 HB3 ALA A 5 14.812 -3.397 1.791 1.00 0.00 H new ATOM 66 N ILE A 6 13.301 -0.974 2.180 1.00 0.00 N ATOM 67 CA ILE A 6 11.993 -0.365 1.921 1.00 0.00 C ATOM 68 C ILE A 6 12.059 1.145 2.128 1.00 0.00 C ATOM 69 O ILE A 6 11.560 1.919 1.309 1.00 0.00 O ATOM 70 CB ILE A 6 10.939 -0.971 2.856 1.00 0.00 C ATOM 71 CG1 ILE A 6 10.864 -2.489 2.617 1.00 0.00 C ATOM 72 CG2 ILE A 6 9.571 -0.340 2.572 1.00 0.00 C ATOM 73 CD1 ILE A 6 9.940 -3.142 3.668 1.00 0.00 C ATOM 0 H ILE A 6 13.330 -1.597 2.987 1.00 0.00 H new ATOM 0 HA ILE A 6 11.714 -0.566 0.887 1.00 0.00 H new ATOM 0 HB ILE A 6 11.216 -0.775 3.892 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.487 -2.690 1.614 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.861 -2.925 2.676 1.00 0.00 H new ATOM 0 HG21 ILE A 6 8.825 -0.773 3.238 1.00 0.00 H new ATOM 0 HG22 ILE A 6 9.625 0.736 2.738 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.289 -0.533 1.537 1.00 0.00 H new ATOM 0 HD11 ILE A 6 9.892 -4.217 3.492 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.335 -2.955 4.666 1.00 0.00 H new ATOM 0 HD13 ILE A 6 8.940 -2.716 3.588 1.00 0.00 H new ATOM 85 N ALA A 7 12.679 1.556 3.228 1.00 0.00 N ATOM 86 CA ALA A 7 12.810 2.978 3.537 1.00 0.00 C ATOM 87 C ALA A 7 13.688 3.669 2.504 1.00 0.00 C ATOM 88 O ALA A 7 13.370 4.763 2.028 1.00 0.00 O ATOM 89 CB ALA A 7 13.426 3.152 4.927 1.00 0.00 C ATOM 0 H ALA A 7 13.097 0.931 3.918 1.00 0.00 H new ATOM 0 HA ALA A 7 11.818 3.430 3.517 1.00 0.00 H new ATOM 0 HB1 ALA A 7 13.521 4.214 5.152 1.00 0.00 H new ATOM 0 HB2 ALA A 7 12.785 2.679 5.671 1.00 0.00 H new ATOM 0 HB3 ALA A 7 14.411 2.686 4.949 1.00 0.00 H new ATOM 95 N ALA A 8 14.792 3.025 2.161 1.00 0.00 N ATOM 96 CA ALA A 8 15.711 3.576 1.187 1.00 0.00 C ATOM 97 C ALA A 8 15.093 3.564 -0.204 1.00 0.00 C ATOM 98 O ALA A 8 15.405 4.413 -1.037 1.00 0.00 O ATOM 99 CB ALA A 8 17.002 2.772 1.179 1.00 0.00 C ATOM 0 H ALA A 8 15.070 2.122 2.544 1.00 0.00 H new ATOM 0 HA ALA A 8 15.927 4.608 1.464 1.00 0.00 H new ATOM 0 HB1 ALA A 8 17.688 3.193 0.444 1.00 0.00 H new ATOM 0 HB2 ALA A 8 17.461 2.810 2.167 1.00 0.00 H new ATOM 0 HB3 ALA A 8 16.784 1.736 0.920 1.00 0.00 H new ATOM 105 N PHE A 9 14.206 2.595 -0.451 1.00 0.00 N ATOM 106 CA PHE A 9 13.549 2.490 -1.746 1.00 0.00 C ATOM 107 C PHE A 9 12.622 3.683 -1.976 1.00 0.00 C ATOM 108 O PHE A 9 12.585 4.251 -3.049 1.00 0.00 O ATOM 109 CB PHE A 9 12.743 1.188 -1.816 1.00 0.00 C ATOM 110 CG PHE A 9 11.916 1.162 -3.101 1.00 0.00 C ATOM 111 CD1 PHE A 9 12.556 1.126 -4.350 1.00 0.00 C ATOM 112 CD2 PHE A 9 10.517 1.168 -3.033 1.00 0.00 C ATOM 113 CE1 PHE A 9 11.795 1.099 -5.526 1.00 0.00 C ATOM 114 CE2 PHE A 9 9.760 1.144 -4.210 1.00 0.00 C ATOM 115 CZ PHE A 9 10.399 1.107 -5.455 1.00 0.00 C ATOM 0 H PHE A 9 13.932 1.882 0.225 1.00 0.00 H new ATOM 0 HA PHE A 9 14.313 2.486 -2.524 1.00 0.00 H new ATOM 0 HB2 PHE A 9 13.416 0.331 -1.788 1.00 0.00 H new ATOM 0 HB3 PHE A 9 12.088 1.108 -0.949 1.00 0.00 H new ATOM 0 HD1 PHE A 9 13.635 1.119 -4.404 1.00 0.00 H new ATOM 0 HD2 PHE A 9 10.023 1.191 -2.073 1.00 0.00 H new ATOM 0 HE1 PHE A 9 12.287 1.072 -6.487 1.00 0.00 H new ATOM 0 HE2 PHE A 9 8.681 1.154 -4.158 1.00 0.00 H new ATOM 0 HZ PHE A 9 9.813 1.085 -6.362 1.00 0.00 H new ATOM 125 N ILE A 10 11.892 4.043 -0.949 1.00 0.00 N ATOM 126 CA ILE A 10 10.968 5.166 -1.025 1.00 0.00 C ATOM 127 C ILE A 10 11.717 6.510 -0.981 1.00 0.00 C ATOM 128 O ILE A 10 11.180 7.535 -1.404 1.00 0.00 O ATOM 129 CB ILE A 10 9.983 5.095 0.142 1.00 0.00 C ATOM 130 CG1 ILE A 10 9.171 3.792 0.039 1.00 0.00 C ATOM 131 CG2 ILE A 10 9.026 6.299 0.081 1.00 0.00 C ATOM 132 CD1 ILE A 10 8.373 3.581 1.325 1.00 0.00 C ATOM 0 H ILE A 10 11.915 3.576 -0.042 1.00 0.00 H new ATOM 0 HA ILE A 10 10.433 5.104 -1.973 1.00 0.00 H new ATOM 0 HB ILE A 10 10.530 5.115 1.084 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.496 3.839 -0.816 1.00 0.00 H new ATOM 0 HG13 ILE A 10 9.840 2.948 -0.129 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.324 6.248 0.913 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.600 7.223 0.146 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.476 6.279 -0.860 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.799 2.658 1.250 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.057 3.515 2.171 1.00 0.00 H new ATOM 0 HD13 ILE A 10 7.693 4.420 1.473 1.00 0.00 H new ATOM 144 N GLU A 11 12.948 6.512 -0.439 1.00 0.00 N ATOM 145 CA GLU A 11 13.736 7.762 -0.324 1.00 0.00 C ATOM 146 C GLU A 11 14.689 7.987 -1.532 1.00 0.00 C ATOM 147 O GLU A 11 14.699 9.066 -2.121 1.00 0.00 O ATOM 148 CB GLU A 11 14.584 7.705 0.972 1.00 0.00 C ATOM 149 CG GLU A 11 13.801 8.335 2.132 1.00 0.00 C ATOM 150 CD GLU A 11 12.517 7.553 2.381 1.00 0.00 C ATOM 151 OE1 GLU A 11 11.546 7.810 1.688 1.00 0.00 O ATOM 152 OE2 GLU A 11 12.524 6.711 3.260 1.00 0.00 O ATOM 0 H GLU A 11 13.416 5.681 -0.078 1.00 0.00 H new ATOM 0 HA GLU A 11 13.028 8.591 -0.303 1.00 0.00 H new ATOM 0 HB2 GLU A 11 14.834 6.671 1.209 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.525 8.235 0.826 1.00 0.00 H new ATOM 0 HG2 GLU A 11 14.413 8.341 3.034 1.00 0.00 H new ATOM 0 HG3 GLU A 11 13.565 9.374 1.900 1.00 0.00 H new ATOM 159 N GLY A 12 15.494 6.972 -1.866 1.00 0.00 N ATOM 160 CA GLY A 12 16.462 7.101 -2.989 1.00 0.00 C ATOM 161 C GLY A 12 16.037 6.288 -4.206 1.00 0.00 C ATOM 162 O GLY A 12 16.690 6.334 -5.246 1.00 0.00 O ATOM 0 H GLY A 12 15.505 6.068 -1.395 1.00 0.00 H new ATOM 0 HA2 GLY A 12 16.555 8.150 -3.269 1.00 0.00 H new ATOM 0 HA3 GLY A 12 17.447 6.771 -2.658 1.00 0.00 H new ATOM 166 N GLY A 13 14.950 5.573 -4.083 1.00 0.00 N ATOM 167 CA GLY A 13 14.439 4.766 -5.198 1.00 0.00 C ATOM 168 C GLY A 13 15.176 3.437 -5.310 1.00 0.00 C ATOM 169 O GLY A 13 15.599 2.864 -4.313 1.00 0.00 O ATOM 0 H GLY A 13 14.391 5.522 -3.231 1.00 0.00 H new ATOM 0 HA2 GLY A 13 13.374 4.582 -5.057 1.00 0.00 H new ATOM 0 HA3 GLY A 13 14.546 5.322 -6.130 1.00 0.00 H new ATOM 173 N TRP A 14 15.317 2.953 -6.534 1.00 0.00 N ATOM 174 CA TRP A 14 15.992 1.682 -6.772 1.00 0.00 C ATOM 175 C TRP A 14 17.376 1.663 -6.107 1.00 0.00 C ATOM 176 O TRP A 14 17.714 0.729 -5.380 1.00 0.00 O ATOM 177 CB TRP A 14 16.150 1.454 -8.267 1.00 0.00 C ATOM 178 CG TRP A 14 16.839 0.156 -8.486 1.00 0.00 C ATOM 179 CD1 TRP A 14 18.176 -0.011 -8.544 1.00 0.00 C ATOM 180 CD2 TRP A 14 16.253 -1.150 -8.669 1.00 0.00 C ATOM 181 NE1 TRP A 14 18.447 -1.349 -8.751 1.00 0.00 N ATOM 182 CE2 TRP A 14 17.288 -2.093 -8.838 1.00 0.00 C ATOM 183 CE3 TRP A 14 14.928 -1.607 -8.706 1.00 0.00 C ATOM 184 CZ2 TRP A 14 17.026 -3.442 -9.034 1.00 0.00 C ATOM 185 CZ3 TRP A 14 14.653 -2.977 -8.905 1.00 0.00 C ATOM 186 CH2 TRP A 14 15.707 -3.889 -9.070 1.00 0.00 C ATOM 0 H TRP A 14 14.976 3.417 -7.376 1.00 0.00 H new ATOM 0 HA TRP A 14 15.384 0.888 -6.338 1.00 0.00 H new ATOM 0 HB2 TRP A 14 15.174 1.449 -8.753 1.00 0.00 H new ATOM 0 HB3 TRP A 14 16.724 2.266 -8.713 1.00 0.00 H new ATOM 0 HD1 TRP A 14 18.913 0.772 -8.445 1.00 0.00 H new ATOM 0 HE1 TRP A 14 19.386 -1.739 -8.830 1.00 0.00 H new ATOM 0 HE3 TRP A 14 14.114 -0.908 -8.582 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 17.840 -4.141 -9.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 13.631 -3.324 -8.930 1.00 0.00 H new ATOM 0 HH2 TRP A 14 15.496 -4.937 -9.225 1.00 0.00 H new ATOM 197 N THR A 15 18.166 2.697 -6.372 1.00 0.00 N ATOM 198 CA THR A 15 19.512 2.794 -5.804 1.00 0.00 C ATOM 199 C THR A 15 19.470 2.673 -4.285 1.00 0.00 C ATOM 200 O THR A 15 20.336 2.038 -3.682 1.00 0.00 O ATOM 201 CB THR A 15 20.149 4.140 -6.197 1.00 0.00 C ATOM 202 OG1 THR A 15 19.926 4.381 -7.583 1.00 0.00 O ATOM 203 CG2 THR A 15 21.662 4.102 -5.918 1.00 0.00 C ATOM 0 H THR A 15 17.903 3.478 -6.973 1.00 0.00 H new ATOM 0 HA THR A 15 20.112 1.975 -6.201 1.00 0.00 H new ATOM 0 HB THR A 15 19.697 4.939 -5.609 1.00 0.00 H new ATOM 0 HG1 THR A 15 20.329 5.238 -7.835 1.00 0.00 H new ATOM 0 HG21 THR A 15 22.108 5.057 -6.198 1.00 0.00 H new ATOM 0 HG22 THR A 15 21.832 3.919 -4.857 1.00 0.00 H new ATOM 0 HG23 THR A 15 22.120 3.303 -6.501 1.00 0.00 H new ATOM 211 N GLY A 16 18.468 3.285 -3.674 1.00 0.00 N ATOM 212 CA GLY A 16 18.334 3.239 -2.225 1.00 0.00 C ATOM 213 C GLY A 16 18.055 1.815 -1.736 1.00 0.00 C ATOM 214 O GLY A 16 18.540 1.407 -0.683 1.00 0.00 O ATOM 0 H GLY A 16 17.741 3.816 -4.153 1.00 0.00 H new ATOM 0 HA2 GLY A 16 19.247 3.612 -1.761 1.00 0.00 H new ATOM 0 HA3 GLY A 16 17.525 3.898 -1.912 1.00 0.00 H new ATOM 218 N MET A 17 17.270 1.068 -2.509 1.00 0.00 N ATOM 219 CA MET A 17 16.932 -0.311 -2.135 1.00 0.00 C ATOM 220 C MET A 17 18.188 -1.135 -1.940 1.00 0.00 C ATOM 221 O MET A 17 18.331 -1.835 -0.934 1.00 0.00 O ATOM 222 CB MET A 17 16.058 -0.953 -3.219 1.00 0.00 C ATOM 223 CG MET A 17 15.666 -2.367 -2.794 1.00 0.00 C ATOM 224 SD MET A 17 14.448 -3.031 -3.960 1.00 0.00 S ATOM 225 CE MET A 17 15.621 -3.660 -5.184 1.00 0.00 C ATOM 0 H MET A 17 16.859 1.385 -3.387 1.00 0.00 H new ATOM 0 HA MET A 17 16.380 -0.285 -1.195 1.00 0.00 H new ATOM 0 HB2 MET A 17 15.164 -0.351 -3.383 1.00 0.00 H new ATOM 0 HB3 MET A 17 16.599 -0.984 -4.165 1.00 0.00 H new ATOM 0 HG2 MET A 17 16.547 -3.008 -2.768 1.00 0.00 H new ATOM 0 HG3 MET A 17 15.251 -2.354 -1.786 1.00 0.00 H new ATOM 0 HE1 MET A 17 15.075 -4.120 -6.008 1.00 0.00 H new ATOM 0 HE2 MET A 17 16.226 -2.837 -5.564 1.00 0.00 H new ATOM 0 HE3 MET A 17 16.269 -4.402 -4.719 1.00 0.00 H new ATOM 235 N ILE A 18 19.095 -1.054 -2.892 1.00 0.00 N ATOM 236 CA ILE A 18 20.337 -1.803 -2.807 1.00 0.00 C ATOM 237 C ILE A 18 21.144 -1.365 -1.592 1.00 0.00 C ATOM 238 O ILE A 18 21.588 -2.195 -0.799 1.00 0.00 O ATOM 239 CB ILE A 18 21.166 -1.586 -4.076 1.00 0.00 C ATOM 240 CG1 ILE A 18 20.322 -1.940 -5.301 1.00 0.00 C ATOM 241 CG2 ILE A 18 22.408 -2.488 -4.041 1.00 0.00 C ATOM 242 CD1 ILE A 18 21.099 -1.591 -6.569 1.00 0.00 C ATOM 0 H ILE A 18 18.999 -0.481 -3.730 1.00 0.00 H new ATOM 0 HA ILE A 18 20.095 -2.861 -2.707 1.00 0.00 H new ATOM 0 HB ILE A 18 21.475 -0.542 -4.131 1.00 0.00 H new ATOM 0 HG12 ILE A 18 20.076 -3.002 -5.292 1.00 0.00 H new ATOM 0 HG13 ILE A 18 19.379 -1.394 -5.277 1.00 0.00 H new ATOM 0 HG21 ILE A 18 22.997 -2.332 -4.945 1.00 0.00 H new ATOM 0 HG22 ILE A 18 23.012 -2.242 -3.168 1.00 0.00 H new ATOM 0 HG23 ILE A 18 22.098 -3.532 -3.985 1.00 0.00 H new ATOM 0 HD11 ILE A 18 20.499 -1.842 -7.444 1.00 0.00 H new ATOM 0 HD12 ILE A 18 21.323 -0.524 -6.577 1.00 0.00 H new ATOM 0 HD13 ILE A 18 22.030 -2.157 -6.592 1.00 0.00 H new ATOM 254 N ASP A 19 21.344 -0.058 -1.456 1.00 0.00 N ATOM 255 CA ASP A 19 22.116 0.472 -0.339 1.00 0.00 C ATOM 256 C ASP A 19 21.517 0.032 0.994 1.00 0.00 C ATOM 257 O ASP A 19 22.234 -0.412 1.890 1.00 0.00 O ATOM 258 CB ASP A 19 22.147 2.010 -0.411 1.00 0.00 C ATOM 259 CG ASP A 19 23.271 2.555 0.471 1.00 0.00 C ATOM 260 OD1 ASP A 19 23.058 2.664 1.668 1.00 0.00 O ATOM 261 OD2 ASP A 19 24.326 2.855 -0.066 1.00 0.00 O ATOM 0 H ASP A 19 20.986 0.648 -2.099 1.00 0.00 H new ATOM 0 HA ASP A 19 23.131 0.082 -0.407 1.00 0.00 H new ATOM 0 HB2 ASP A 19 22.295 2.331 -1.442 1.00 0.00 H new ATOM 0 HB3 ASP A 19 21.189 2.416 -0.086 1.00 0.00 H new ATOM 266 N GLY A 20 20.199 0.165 1.120 1.00 0.00 N ATOM 267 CA GLY A 20 19.519 -0.216 2.348 1.00 0.00 C ATOM 268 C GLY A 20 19.654 -1.704 2.613 1.00 0.00 C ATOM 269 O GLY A 20 19.824 -2.128 3.756 1.00 0.00 O ATOM 0 H GLY A 20 19.587 0.531 0.391 1.00 0.00 H new ATOM 0 HA2 GLY A 20 19.935 0.344 3.186 1.00 0.00 H new ATOM 0 HA3 GLY A 20 18.464 0.049 2.280 1.00 0.00 H new ATOM 273 N TRP A 21 19.572 -2.499 1.553 1.00 0.00 N ATOM 274 CA TRP A 21 19.681 -3.946 1.688 1.00 0.00 C ATOM 275 C TRP A 21 21.045 -4.325 2.255 1.00 0.00 C ATOM 276 O TRP A 21 21.138 -5.096 3.209 1.00 0.00 O ATOM 277 CB TRP A 21 19.485 -4.614 0.323 1.00 0.00 C ATOM 278 CG TRP A 21 19.640 -6.095 0.463 1.00 0.00 C ATOM 279 CD1 TRP A 21 20.662 -6.823 -0.048 1.00 0.00 C ATOM 280 CD2 TRP A 21 18.771 -7.038 1.149 1.00 0.00 C ATOM 281 NE1 TRP A 21 20.470 -8.154 0.283 1.00 0.00 N ATOM 282 CE2 TRP A 21 19.315 -8.334 1.021 1.00 0.00 C ATOM 283 CE3 TRP A 21 17.565 -6.892 1.865 1.00 0.00 C ATOM 284 CZ2 TRP A 21 18.697 -9.446 1.578 1.00 0.00 C ATOM 285 CZ3 TRP A 21 16.935 -8.019 2.432 1.00 0.00 C ATOM 286 CH2 TRP A 21 17.506 -9.293 2.285 1.00 0.00 C ATOM 0 H TRP A 21 19.432 -2.170 0.598 1.00 0.00 H new ATOM 0 HA TRP A 21 18.907 -4.291 2.373 1.00 0.00 H new ATOM 0 HB2 TRP A 21 18.497 -4.377 -0.071 1.00 0.00 H new ATOM 0 HB3 TRP A 21 20.213 -4.228 -0.390 1.00 0.00 H new ATOM 0 HD1 TRP A 21 21.490 -6.430 -0.619 1.00 0.00 H new ATOM 0 HE1 TRP A 21 21.103 -8.908 0.015 1.00 0.00 H new ATOM 0 HE3 TRP A 21 17.122 -5.914 1.980 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 19.138 -10.425 1.464 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 16.012 -7.902 2.980 1.00 0.00 H new ATOM 0 HH2 TRP A 21 17.022 -10.155 2.720 1.00 0.00 H new ATOM 365 N PHE B 3 33.958 -3.497 6.448 1.00 0.00 N ATOM 366 CA PHE B 3 33.315 -2.210 6.654 1.00 0.00 C ATOM 367 C PHE B 3 34.089 -1.108 5.940 1.00 0.00 C ATOM 368 O PHE B 3 33.500 -0.191 5.369 1.00 0.00 O ATOM 369 CB PHE B 3 33.239 -1.898 8.147 1.00 0.00 C ATOM 370 CG PHE B 3 32.439 -2.982 8.847 1.00 0.00 C ATOM 371 CD1 PHE B 3 31.062 -3.085 8.627 1.00 0.00 C ATOM 372 CD2 PHE B 3 33.081 -3.885 9.714 1.00 0.00 C ATOM 373 CE1 PHE B 3 30.322 -4.086 9.271 1.00 0.00 C ATOM 374 CE2 PHE B 3 32.340 -4.886 10.355 1.00 0.00 C ATOM 375 CZ PHE B 3 30.962 -4.986 10.134 1.00 0.00 C ATOM 0 HA PHE B 3 32.307 -2.257 6.243 1.00 0.00 H new ATOM 0 HB2 PHE B 3 34.242 -1.840 8.570 1.00 0.00 H new ATOM 0 HB3 PHE B 3 32.771 -0.926 8.304 1.00 0.00 H new ATOM 0 HD1 PHE B 3 30.569 -2.393 7.961 1.00 0.00 H new ATOM 0 HD2 PHE B 3 34.144 -3.806 9.885 1.00 0.00 H new ATOM 0 HE1 PHE B 3 29.258 -4.164 9.102 1.00 0.00 H new ATOM 0 HE2 PHE B 3 32.832 -5.580 11.020 1.00 0.00 H new ATOM 0 HZ PHE B 3 30.391 -5.758 10.629 1.00 0.00 H new ATOM 385 N GLY B 4 35.416 -1.206 5.976 1.00 0.00 N ATOM 386 CA GLY B 4 36.263 -0.212 5.329 1.00 0.00 C ATOM 387 C GLY B 4 36.043 -0.207 3.822 1.00 0.00 C ATOM 388 O GLY B 4 35.946 0.852 3.203 1.00 0.00 O ATOM 0 H GLY B 4 35.923 -1.958 6.443 1.00 0.00 H new ATOM 0 HA2 GLY B 4 36.046 0.776 5.735 1.00 0.00 H new ATOM 0 HA3 GLY B 4 37.310 -0.423 5.547 1.00 0.00 H new ATOM 392 N ALA B 5 35.963 -1.402 3.238 1.00 0.00 N ATOM 393 CA ALA B 5 35.753 -1.527 1.797 1.00 0.00 C ATOM 394 C ALA B 5 34.456 -0.845 1.382 1.00 0.00 C ATOM 395 O ALA B 5 34.436 -0.043 0.449 1.00 0.00 O ATOM 396 CB ALA B 5 35.706 -3.018 1.401 1.00 0.00 C ATOM 0 H ALA B 5 36.040 -2.289 3.735 1.00 0.00 H new ATOM 0 HA ALA B 5 36.583 -1.041 1.284 1.00 0.00 H new ATOM 0 HB1 ALA B 5 35.549 -3.104 0.326 1.00 0.00 H new ATOM 0 HB2 ALA B 5 36.648 -3.496 1.670 1.00 0.00 H new ATOM 0 HB3 ALA B 5 34.887 -3.509 1.927 1.00 0.00 H new ATOM 402 N ILE B 6 33.382 -1.165 2.077 1.00 0.00 N ATOM 403 CA ILE B 6 32.087 -0.576 1.771 1.00 0.00 C ATOM 404 C ILE B 6 32.118 0.933 2.013 1.00 0.00 C ATOM 405 O ILE B 6 31.601 1.714 1.207 1.00 0.00 O ATOM 406 CB ILE B 6 30.995 -1.223 2.646 1.00 0.00 C ATOM 407 CG1 ILE B 6 30.845 -2.700 2.261 1.00 0.00 C ATOM 408 CG2 ILE B 6 29.653 -0.501 2.418 1.00 0.00 C ATOM 409 CD1 ILE B 6 29.965 -3.409 3.293 1.00 0.00 C ATOM 0 H ILE B 6 33.377 -1.826 2.854 1.00 0.00 H new ATOM 0 HA ILE B 6 31.860 -0.759 0.721 1.00 0.00 H new ATOM 0 HB ILE B 6 31.278 -1.142 3.696 1.00 0.00 H new ATOM 0 HG12 ILE B 6 30.401 -2.785 1.269 1.00 0.00 H new ATOM 0 HG13 ILE B 6 31.824 -3.176 2.214 1.00 0.00 H new ATOM 0 HG21 ILE B 6 28.883 -0.960 3.038 1.00 0.00 H new ATOM 0 HG22 ILE B 6 29.755 0.550 2.686 1.00 0.00 H new ATOM 0 HG23 ILE B 6 29.370 -0.582 1.368 1.00 0.00 H new ATOM 0 HD11 ILE B 6 29.858 -4.459 3.020 1.00 0.00 H new ATOM 0 HD12 ILE B 6 30.427 -3.335 4.277 1.00 0.00 H new ATOM 0 HD13 ILE B 6 28.982 -2.938 3.318 1.00 0.00 H new ATOM 421 N ALA B 7 32.727 1.335 3.125 1.00 0.00 N ATOM 422 CA ALA B 7 32.817 2.753 3.465 1.00 0.00 C ATOM 423 C ALA B 7 33.626 3.503 2.418 1.00 0.00 C ATOM 424 O ALA B 7 33.200 4.545 1.921 1.00 0.00 O ATOM 425 CB ALA B 7 33.471 2.918 4.834 1.00 0.00 C ATOM 0 H ALA B 7 33.162 0.707 3.801 1.00 0.00 H new ATOM 0 HA ALA B 7 31.809 3.167 3.492 1.00 0.00 H new ATOM 0 HB1 ALA B 7 33.535 3.978 5.081 1.00 0.00 H new ATOM 0 HB2 ALA B 7 32.873 2.405 5.587 1.00 0.00 H new ATOM 0 HB3 ALA B 7 34.473 2.489 4.813 1.00 0.00 H new ATOM 431 N ALA B 8 34.789 2.964 2.085 1.00 0.00 N ATOM 432 CA ALA B 8 35.650 3.586 1.091 1.00 0.00 C ATOM 433 C ALA B 8 34.955 3.621 -0.265 1.00 0.00 C ATOM 434 O ALA B 8 35.166 4.536 -1.058 1.00 0.00 O ATOM 435 CB ALA B 8 36.964 2.805 0.979 1.00 0.00 C ATOM 0 H ALA B 8 35.157 2.101 2.486 1.00 0.00 H new ATOM 0 HA ALA B 8 35.863 4.608 1.404 1.00 0.00 H new ATOM 0 HB1 ALA B 8 37.605 3.276 0.233 1.00 0.00 H new ATOM 0 HB2 ALA B 8 37.471 2.805 1.944 1.00 0.00 H new ATOM 0 HB3 ALA B 8 36.753 1.778 0.680 1.00 0.00 H new ATOM 441 N PHE B 9 34.129 2.624 -0.525 1.00 0.00 N ATOM 442 CA PHE B 9 33.419 2.559 -1.784 1.00 0.00 C ATOM 443 C PHE B 9 32.547 3.805 -1.959 1.00 0.00 C ATOM 444 O PHE B 9 32.522 4.411 -3.030 1.00 0.00 O ATOM 445 CB PHE B 9 32.543 1.294 -1.833 1.00 0.00 C ATOM 446 CG PHE B 9 32.076 1.047 -3.258 1.00 0.00 C ATOM 447 CD1 PHE B 9 32.981 0.581 -4.215 1.00 0.00 C ATOM 448 CD2 PHE B 9 30.738 1.283 -3.615 1.00 0.00 C ATOM 449 CE1 PHE B 9 32.556 0.350 -5.528 1.00 0.00 C ATOM 450 CE2 PHE B 9 30.313 1.051 -4.928 1.00 0.00 C ATOM 451 CZ PHE B 9 31.222 0.585 -5.886 1.00 0.00 C ATOM 0 H PHE B 9 33.936 1.854 0.116 1.00 0.00 H new ATOM 0 HA PHE B 9 34.145 2.517 -2.596 1.00 0.00 H new ATOM 0 HB2 PHE B 9 33.108 0.435 -1.472 1.00 0.00 H new ATOM 0 HB3 PHE B 9 31.683 1.410 -1.174 1.00 0.00 H new ATOM 0 HD1 PHE B 9 34.010 0.399 -3.941 1.00 0.00 H new ATOM 0 HD2 PHE B 9 30.037 1.643 -2.876 1.00 0.00 H new ATOM 0 HE1 PHE B 9 33.257 -0.010 -6.266 1.00 0.00 H new ATOM 0 HE2 PHE B 9 29.284 1.231 -5.202 1.00 0.00 H new ATOM 0 HZ PHE B 9 30.895 0.407 -6.900 1.00 0.00 H new ATOM 461 N ILE B 10 31.834 4.184 -0.890 1.00 0.00 N ATOM 462 CA ILE B 10 30.961 5.368 -0.938 1.00 0.00 C ATOM 463 C ILE B 10 31.739 6.641 -0.571 1.00 0.00 C ATOM 464 O ILE B 10 31.810 7.584 -1.359 1.00 0.00 O ATOM 465 CB ILE B 10 29.795 5.193 0.032 1.00 0.00 C ATOM 466 CG1 ILE B 10 29.001 3.935 -0.348 1.00 0.00 C ATOM 467 CG2 ILE B 10 28.874 6.426 -0.040 1.00 0.00 C ATOM 468 CD1 ILE B 10 28.003 3.608 0.760 1.00 0.00 C ATOM 0 H ILE B 10 31.842 3.698 0.006 1.00 0.00 H new ATOM 0 HA ILE B 10 30.584 5.470 -1.956 1.00 0.00 H new ATOM 0 HB ILE B 10 30.178 5.089 1.047 1.00 0.00 H new ATOM 0 HG12 ILE B 10 28.476 4.094 -1.290 1.00 0.00 H new ATOM 0 HG13 ILE B 10 29.680 3.096 -0.500 1.00 0.00 H new ATOM 0 HG21 ILE B 10 28.042 6.300 0.653 1.00 0.00 H new ATOM 0 HG22 ILE B 10 29.439 7.318 0.230 1.00 0.00 H new ATOM 0 HG23 ILE B 10 28.489 6.534 -1.054 1.00 0.00 H new ATOM 0 HD11 ILE B 10 27.439 2.715 0.490 1.00 0.00 H new ATOM 0 HD12 ILE B 10 28.539 3.431 1.692 1.00 0.00 H new ATOM 0 HD13 ILE B 10 27.317 4.445 0.890 1.00 0.00 H new ATOM 701 N PHE C 3 -1.222 -3.657 6.202 1.00 0.00 N ATOM 702 CA PHE C 3 -1.779 -2.373 6.588 1.00 0.00 C ATOM 703 C PHE C 3 -0.971 -1.234 5.973 1.00 0.00 C ATOM 704 O PHE C 3 -1.532 -0.250 5.495 1.00 0.00 O ATOM 705 CB PHE C 3 -1.785 -2.237 8.113 1.00 0.00 C ATOM 706 CG PHE C 3 -2.699 -3.287 8.710 1.00 0.00 C ATOM 707 CD1 PHE C 3 -4.082 -3.202 8.511 1.00 0.00 C ATOM 708 CD2 PHE C 3 -2.163 -4.344 9.462 1.00 0.00 C ATOM 709 CE1 PHE C 3 -4.930 -4.171 9.061 1.00 0.00 C ATOM 710 CE2 PHE C 3 -3.012 -5.312 10.010 1.00 0.00 C ATOM 711 CZ PHE C 3 -4.395 -5.226 9.811 1.00 0.00 C ATOM 0 HA PHE C 3 -2.803 -2.318 6.219 1.00 0.00 H new ATOM 0 HB2 PHE C 3 -0.774 -2.355 8.503 1.00 0.00 H new ATOM 0 HB3 PHE C 3 -2.123 -1.241 8.399 1.00 0.00 H new ATOM 0 HD1 PHE C 3 -4.495 -2.389 7.933 1.00 0.00 H new ATOM 0 HD2 PHE C 3 -1.096 -4.410 9.618 1.00 0.00 H new ATOM 0 HE1 PHE C 3 -5.997 -4.105 8.907 1.00 0.00 H new ATOM 0 HE2 PHE C 3 -2.600 -6.126 10.587 1.00 0.00 H new ATOM 0 HZ PHE C 3 -5.049 -5.973 10.236 1.00 0.00 H new ATOM 721 N GLY C 4 0.349 -1.378 5.988 1.00 0.00 N ATOM 722 CA GLY C 4 1.222 -0.356 5.427 1.00 0.00 C ATOM 723 C GLY C 4 1.063 -0.272 3.913 1.00 0.00 C ATOM 724 O GLY C 4 1.102 0.813 3.337 1.00 0.00 O ATOM 0 H GLY C 4 0.834 -2.185 6.379 1.00 0.00 H new ATOM 0 HA2 GLY C 4 0.991 0.611 5.875 1.00 0.00 H new ATOM 0 HA3 GLY C 4 2.259 -0.582 5.675 1.00 0.00 H new ATOM 728 N ALA C 5 0.886 -1.425 3.275 1.00 0.00 N ATOM 729 CA ALA C 5 0.725 -1.466 1.828 1.00 0.00 C ATOM 730 C ALA C 5 -0.543 -0.754 1.409 1.00 0.00 C ATOM 731 O ALA C 5 -0.534 0.047 0.478 1.00 0.00 O ATOM 732 CB ALA C 5 0.684 -2.913 1.347 1.00 0.00 C ATOM 0 H ALA C 5 0.851 -2.335 3.734 1.00 0.00 H new ATOM 0 HA ALA C 5 1.576 -0.958 1.375 1.00 0.00 H new ATOM 0 HB1 ALA C 5 0.563 -2.933 0.264 1.00 0.00 H new ATOM 0 HB2 ALA C 5 1.614 -3.413 1.618 1.00 0.00 H new ATOM 0 HB3 ALA C 5 -0.155 -3.428 1.815 1.00 0.00 H new ATOM 738 N ILE C 6 -1.631 -1.035 2.097 1.00 0.00 N ATOM 739 CA ILE C 6 -2.900 -0.396 1.777 1.00 0.00 C ATOM 740 C ILE C 6 -2.811 1.103 2.035 1.00 0.00 C ATOM 741 O ILE C 6 -3.291 1.913 1.239 1.00 0.00 O ATOM 742 CB ILE C 6 -4.029 -1.009 2.623 1.00 0.00 C ATOM 743 CG1 ILE C 6 -4.264 -2.464 2.175 1.00 0.00 C ATOM 744 CG2 ILE C 6 -5.323 -0.196 2.429 1.00 0.00 C ATOM 745 CD1 ILE C 6 -5.188 -3.185 3.183 1.00 0.00 C ATOM 0 H ILE C 6 -1.667 -1.694 2.874 1.00 0.00 H new ATOM 0 HA ILE C 6 -3.120 -0.561 0.722 1.00 0.00 H new ATOM 0 HB ILE C 6 -3.747 -0.989 3.676 1.00 0.00 H new ATOM 0 HG12 ILE C 6 -4.713 -2.479 1.182 1.00 0.00 H new ATOM 0 HG13 ILE C 6 -3.312 -2.989 2.102 1.00 0.00 H new ATOM 0 HG21 ILE C 6 -6.121 -0.633 3.030 1.00 0.00 H new ATOM 0 HG22 ILE C 6 -5.156 0.834 2.742 1.00 0.00 H new ATOM 0 HG23 ILE C 6 -5.609 -0.213 1.377 1.00 0.00 H new ATOM 0 HD11 ILE C 6 -5.349 -4.213 2.858 1.00 0.00 H new ATOM 0 HD12 ILE C 6 -4.722 -3.184 4.168 1.00 0.00 H new ATOM 0 HD13 ILE C 6 -6.146 -2.667 3.234 1.00 0.00 H new ATOM 757 N ALA C 7 -2.195 1.465 3.152 1.00 0.00 N ATOM 758 CA ALA C 7 -2.047 2.872 3.509 1.00 0.00 C ATOM 759 C ALA C 7 -1.211 3.607 2.460 1.00 0.00 C ATOM 760 O ALA C 7 -1.567 4.698 2.027 1.00 0.00 O ATOM 761 CB ALA C 7 -1.382 2.997 4.891 1.00 0.00 C ATOM 0 H ALA C 7 -1.792 0.811 3.823 1.00 0.00 H new ATOM 0 HA ALA C 7 -3.037 3.326 3.546 1.00 0.00 H new ATOM 0 HB1 ALA C 7 -1.275 4.051 5.150 1.00 0.00 H new ATOM 0 HB2 ALA C 7 -2.001 2.501 5.639 1.00 0.00 H new ATOM 0 HB3 ALA C 7 -0.398 2.528 4.865 1.00 0.00 H new ATOM 767 N ALA C 8 -0.105 3.002 2.057 1.00 0.00 N ATOM 768 CA ALA C 8 0.763 3.615 1.058 1.00 0.00 C ATOM 769 C ALA C 8 0.078 3.637 -0.308 1.00 0.00 C ATOM 770 O ALA C 8 0.338 4.513 -1.132 1.00 0.00 O ATOM 771 CB ALA C 8 2.071 2.847 0.962 1.00 0.00 C ATOM 0 H ALA C 8 0.213 2.096 2.401 1.00 0.00 H new ATOM 0 HA ALA C 8 0.969 4.641 1.364 1.00 0.00 H new ATOM 0 HB1 ALA C 8 2.712 3.313 0.213 1.00 0.00 H new ATOM 0 HB2 ALA C 8 2.573 2.861 1.929 1.00 0.00 H new ATOM 0 HB3 ALA C 8 1.867 1.816 0.674 1.00 0.00 H new ATOM 777 N PHE C 9 -0.797 2.658 -0.537 1.00 0.00 N ATOM 778 CA PHE C 9 -1.524 2.558 -1.810 1.00 0.00 C ATOM 779 C PHE C 9 -2.484 3.736 -1.990 1.00 0.00 C ATOM 780 O PHE C 9 -2.594 4.300 -3.081 1.00 0.00 O ATOM 781 CB PHE C 9 -2.319 1.251 -1.849 1.00 0.00 C ATOM 782 CG PHE C 9 -2.855 1.030 -3.248 1.00 0.00 C ATOM 783 CD1 PHE C 9 -2.014 0.533 -4.248 1.00 0.00 C ATOM 784 CD2 PHE C 9 -4.192 1.321 -3.540 1.00 0.00 C ATOM 785 CE1 PHE C 9 -2.508 0.329 -5.540 1.00 0.00 C ATOM 786 CE2 PHE C 9 -4.686 1.116 -4.832 1.00 0.00 C ATOM 787 CZ PHE C 9 -3.843 0.620 -5.832 1.00 0.00 C ATOM 0 H PHE C 9 -1.021 1.925 0.136 1.00 0.00 H new ATOM 0 HA PHE C 9 -0.794 2.576 -2.619 1.00 0.00 H new ATOM 0 HB2 PHE C 9 -1.682 0.416 -1.556 1.00 0.00 H new ATOM 0 HB3 PHE C 9 -3.141 1.291 -1.135 1.00 0.00 H new ATOM 0 HD1 PHE C 9 -0.982 0.307 -4.023 1.00 0.00 H new ATOM 0 HD2 PHE C 9 -4.842 1.704 -2.768 1.00 0.00 H new ATOM 0 HE1 PHE C 9 -1.857 -0.054 -6.313 1.00 0.00 H new ATOM 0 HE2 PHE C 9 -5.718 1.341 -5.058 1.00 0.00 H new ATOM 0 HZ PHE C 9 -4.224 0.462 -6.830 1.00 0.00 H new ATOM 797 N ILE C 10 -3.186 4.095 -0.908 1.00 0.00 N ATOM 798 CA ILE C 10 -4.147 5.204 -0.957 1.00 0.00 C ATOM 799 C ILE C 10 -3.437 6.548 -0.785 1.00 0.00 C ATOM 800 O ILE C 10 -3.801 7.538 -1.418 1.00 0.00 O ATOM 801 CB ILE C 10 -5.202 5.033 0.144 1.00 0.00 C ATOM 802 CG1 ILE C 10 -5.989 3.734 -0.101 1.00 0.00 C ATOM 803 CG2 ILE C 10 -6.171 6.231 0.120 1.00 0.00 C ATOM 804 CD1 ILE C 10 -6.894 3.451 1.096 1.00 0.00 C ATOM 0 H ILE C 10 -3.109 3.640 0.002 1.00 0.00 H new ATOM 0 HA ILE C 10 -4.634 5.191 -1.932 1.00 0.00 H new ATOM 0 HB ILE C 10 -4.709 4.985 1.115 1.00 0.00 H new ATOM 0 HG12 ILE C 10 -6.586 3.824 -1.008 1.00 0.00 H new ATOM 0 HG13 ILE C 10 -5.301 2.903 -0.254 1.00 0.00 H new ATOM 0 HG21 ILE C 10 -6.920 6.109 0.902 1.00 0.00 H new ATOM 0 HG22 ILE C 10 -5.615 7.153 0.291 1.00 0.00 H new ATOM 0 HG23 ILE C 10 -6.665 6.280 -0.851 1.00 0.00 H new ATOM 0 HD11 ILE C 10 -7.451 2.531 0.921 1.00 0.00 H new ATOM 0 HD12 ILE C 10 -6.286 3.342 1.994 1.00 0.00 H new ATOM 0 HD13 ILE C 10 -7.592 4.278 1.228 1.00 0.00 H new ATOM 816 N GLU C 11 -2.429 6.573 0.076 1.00 0.00 N ATOM 817 CA GLU C 11 -1.678 7.801 0.324 1.00 0.00 C ATOM 818 C GLU C 11 -0.904 8.228 -0.930 1.00 0.00 C ATOM 819 O GLU C 11 -0.680 9.418 -1.150 1.00 0.00 O ATOM 820 CB GLU C 11 -0.699 7.587 1.494 1.00 0.00 C ATOM 821 CG GLU C 11 -1.440 7.758 2.841 1.00 0.00 C ATOM 822 CD GLU C 11 -2.797 7.046 2.802 1.00 0.00 C ATOM 823 OE1 GLU C 11 -3.693 7.552 2.147 1.00 0.00 O ATOM 824 OE2 GLU C 11 -2.916 6.009 3.430 1.00 0.00 O ATOM 0 H GLU C 11 -2.112 5.765 0.612 1.00 0.00 H new ATOM 0 HA GLU C 11 -2.383 8.591 0.581 1.00 0.00 H new ATOM 0 HB2 GLU C 11 -0.260 6.591 1.435 1.00 0.00 H new ATOM 0 HB3 GLU C 11 0.122 8.301 1.428 1.00 0.00 H new ATOM 0 HG2 GLU C 11 -0.833 7.352 3.651 1.00 0.00 H new ATOM 0 HG3 GLU C 11 -1.585 8.818 3.051 1.00 0.00 H new ATOM 869 N THR C 15 -5.578 8.937 -7.462 1.00 0.00 N ATOM 870 CA THR C 15 -5.612 9.428 -8.842 1.00 0.00 C ATOM 871 C THR C 15 -4.382 8.954 -9.617 1.00 0.00 C ATOM 872 O THR C 15 -4.357 9.006 -10.849 1.00 0.00 O ATOM 873 CB THR C 15 -5.659 10.963 -8.845 1.00 0.00 C ATOM 874 OG1 THR C 15 -6.590 11.408 -7.866 1.00 0.00 O ATOM 875 CG2 THR C 15 -6.090 11.466 -10.229 1.00 0.00 C ATOM 0 HA THR C 15 -6.504 9.031 -9.327 1.00 0.00 H new ATOM 0 HB THR C 15 -4.669 11.356 -8.613 1.00 0.00 H new ATOM 0 HG1 THR C 15 -6.745 10.693 -7.214 1.00 0.00 H new ATOM 0 HG21 THR C 15 -6.122 12.556 -10.226 1.00 0.00 H new ATOM 0 HG22 THR C 15 -5.376 11.126 -10.979 1.00 0.00 H new ATOM 0 HG23 THR C 15 -7.079 11.075 -10.467 1.00 0.00 H new ATOM 883 N GLY C 16 -3.367 8.494 -8.892 1.00 0.00 N ATOM 884 CA GLY C 16 -2.139 8.013 -9.528 1.00 0.00 C ATOM 885 C GLY C 16 -2.407 6.734 -10.317 1.00 0.00 C ATOM 886 O GLY C 16 -1.930 6.571 -11.440 1.00 0.00 O ATOM 0 H GLY C 16 -3.367 8.443 -7.873 1.00 0.00 H new ATOM 0 HA2 GLY C 16 -1.743 8.780 -10.193 1.00 0.00 H new ATOM 0 HA3 GLY C 16 -1.379 7.826 -8.769 1.00 0.00 H new ATOM 890 N MET C 17 -3.170 5.832 -9.715 1.00 0.00 N ATOM 891 CA MET C 17 -3.498 4.564 -10.359 1.00 0.00 C ATOM 892 C MET C 17 -4.172 4.801 -11.713 1.00 0.00 C ATOM 893 O MET C 17 -3.817 4.174 -12.706 1.00 0.00 O ATOM 894 CB MET C 17 -4.425 3.742 -9.456 1.00 0.00 C ATOM 895 CG MET C 17 -4.779 2.419 -10.146 1.00 0.00 C ATOM 896 SD MET C 17 -5.628 1.329 -8.974 1.00 0.00 S ATOM 897 CE MET C 17 -7.222 2.184 -8.966 1.00 0.00 C ATOM 0 H MET C 17 -3.573 5.952 -8.786 1.00 0.00 H new ATOM 0 HA MET C 17 -2.572 4.014 -10.524 1.00 0.00 H new ATOM 0 HB2 MET C 17 -3.938 3.546 -8.501 1.00 0.00 H new ATOM 0 HB3 MET C 17 -5.333 4.306 -9.241 1.00 0.00 H new ATOM 0 HG2 MET C 17 -5.416 2.607 -11.010 1.00 0.00 H new ATOM 0 HG3 MET C 17 -3.874 1.937 -10.516 1.00 0.00 H new ATOM 0 HE1 MET C 17 -7.979 1.539 -8.519 1.00 0.00 H new ATOM 0 HE2 MET C 17 -7.139 3.103 -8.385 1.00 0.00 H new ATOM 0 HE3 MET C 17 -7.510 2.426 -9.989 1.00 0.00 H new ATOM 907 N ILE C 18 -5.142 5.709 -11.745 1.00 0.00 N ATOM 908 CA ILE C 18 -5.851 6.012 -12.990 1.00 0.00 C ATOM 909 C ILE C 18 -4.902 6.657 -14.005 1.00 0.00 C ATOM 910 O ILE C 18 -4.908 6.310 -15.188 1.00 0.00 O ATOM 911 CB ILE C 18 -7.020 6.948 -12.708 1.00 0.00 C ATOM 912 CG1 ILE C 18 -7.917 6.318 -11.627 1.00 0.00 C ATOM 913 CG2 ILE C 18 -7.832 7.154 -13.992 1.00 0.00 C ATOM 914 CD1 ILE C 18 -9.062 7.275 -11.274 1.00 0.00 C ATOM 0 H ILE C 18 -5.455 6.244 -10.935 1.00 0.00 H new ATOM 0 HA ILE C 18 -6.230 5.080 -13.409 1.00 0.00 H new ATOM 0 HB ILE C 18 -6.646 7.911 -12.361 1.00 0.00 H new ATOM 0 HG12 ILE C 18 -8.321 5.371 -11.984 1.00 0.00 H new ATOM 0 HG13 ILE C 18 -7.328 6.098 -10.737 1.00 0.00 H new ATOM 0 HG21 ILE C 18 -8.668 7.823 -13.790 1.00 0.00 H new ATOM 0 HG22 ILE C 18 -7.194 7.592 -14.760 1.00 0.00 H new ATOM 0 HG23 ILE C 18 -8.212 6.194 -14.340 1.00 0.00 H new ATOM 0 HD11 ILE C 18 -9.692 6.822 -10.509 1.00 0.00 H new ATOM 0 HD12 ILE C 18 -8.650 8.212 -10.898 1.00 0.00 H new ATOM 0 HD13 ILE C 18 -9.659 7.473 -12.165 1.00 0.00 H new ATOM 926 N ASP C 19 -4.092 7.595 -13.527 1.00 0.00 N ATOM 927 CA ASP C 19 -3.135 8.289 -14.387 1.00 0.00 C ATOM 928 C ASP C 19 -2.224 7.297 -15.100 1.00 0.00 C ATOM 929 O ASP C 19 -2.041 7.371 -16.314 1.00 0.00 O ATOM 930 CB ASP C 19 -2.280 9.234 -13.546 1.00 0.00 C ATOM 931 CG ASP C 19 -1.380 10.068 -14.452 1.00 0.00 C ATOM 932 OD1 ASP C 19 -1.552 9.992 -15.658 1.00 0.00 O ATOM 933 OD2 ASP C 19 -0.532 10.769 -13.927 1.00 0.00 O ATOM 0 H ASP C 19 -4.077 7.893 -12.552 1.00 0.00 H new ATOM 0 HA ASP C 19 -3.695 8.853 -15.134 1.00 0.00 H new ATOM 0 HB2 ASP C 19 -2.921 9.888 -12.954 1.00 0.00 H new ATOM 0 HB3 ASP C 19 -1.673 8.662 -12.844 1.00 0.00 H new ATOM 938 N GLY C 20 -1.652 6.372 -14.337 1.00 0.00 N ATOM 939 CA GLY C 20 -0.752 5.372 -14.909 1.00 0.00 C ATOM 940 C GLY C 20 -1.499 4.394 -15.799 1.00 0.00 C ATOM 941 O GLY C 20 -1.013 4.026 -16.868 1.00 0.00 O ATOM 0 H GLY C 20 -1.792 6.292 -13.330 1.00 0.00 H new ATOM 0 HA2 GLY C 20 0.026 5.870 -15.487 1.00 0.00 H new ATOM 0 HA3 GLY C 20 -0.254 4.828 -14.106 1.00 0.00 H new ATOM 945 N TRP C 21 -2.678 3.975 -15.370 1.00 0.00 N ATOM 946 CA TRP C 21 -3.466 3.040 -16.160 1.00 0.00 C ATOM 947 C TRP C 21 -3.626 3.573 -17.588 1.00 0.00 C ATOM 948 O TRP C 21 -3.337 2.876 -18.560 1.00 0.00 O ATOM 949 CB TRP C 21 -4.860 2.845 -15.507 1.00 0.00 C ATOM 950 CG TRP C 21 -5.402 1.467 -15.816 1.00 0.00 C ATOM 951 CD1 TRP C 21 -5.072 0.715 -16.897 1.00 0.00 C ATOM 952 CD2 TRP C 21 -6.359 0.686 -15.054 1.00 0.00 C ATOM 953 NE1 TRP C 21 -5.771 -0.480 -16.835 1.00 0.00 N ATOM 954 CE2 TRP C 21 -6.576 -0.542 -15.719 1.00 0.00 C ATOM 955 CE3 TRP C 21 -7.059 0.922 -13.853 1.00 0.00 C ATOM 956 CZ2 TRP C 21 -7.444 -1.498 -15.220 1.00 0.00 C ATOM 957 CZ3 TRP C 21 -7.942 -0.049 -13.345 1.00 0.00 C ATOM 958 CH2 TRP C 21 -8.131 -1.258 -14.033 1.00 0.00 C ATOM 0 H TRP C 21 -3.108 4.262 -14.491 1.00 0.00 H new ATOM 0 HA TRP C 21 -2.953 2.079 -16.195 1.00 0.00 H new ATOM 0 HB2 TRP C 21 -4.784 2.979 -14.428 1.00 0.00 H new ATOM 0 HB3 TRP C 21 -5.550 3.604 -15.875 1.00 0.00 H new ATOM 0 HD1 TRP C 21 -4.380 1.000 -17.676 1.00 0.00 H new ATOM 0 HE1 TRP C 21 -5.698 -1.223 -17.530 1.00 0.00 H new ATOM 0 HE3 TRP C 21 -6.917 1.851 -13.321 1.00 0.00 H new ATOM 0 HZ2 TRP C 21 -7.588 -2.428 -15.750 1.00 0.00 H new ATOM 0 HZ3 TRP C 21 -8.475 0.136 -12.424 1.00 0.00 H new ATOM 0 HH2 TRP C 21 -8.809 -2.002 -13.642 1.00 0.00 H new ATOM 969 N TYR C 22 -4.080 4.818 -17.702 1.00 0.00 N ATOM 970 CA TYR C 22 -4.267 5.438 -19.008 1.00 0.00 C ATOM 971 C TYR C 22 -2.916 5.840 -19.609 1.00 0.00 C ATOM 972 O TYR C 22 -2.675 5.650 -20.801 1.00 0.00 O ATOM 973 CB TYR C 22 -5.170 6.679 -18.875 1.00 0.00 C ATOM 974 CG TYR C 22 -6.625 6.252 -18.892 1.00 0.00 C ATOM 975 CD1 TYR C 22 -7.308 6.157 -20.109 1.00 0.00 C ATOM 976 CD2 TYR C 22 -7.284 5.951 -17.693 1.00 0.00 C ATOM 977 CE1 TYR C 22 -8.650 5.761 -20.129 1.00 0.00 C ATOM 978 CE2 TYR C 22 -8.629 5.555 -17.714 1.00 0.00 C ATOM 979 CZ TYR C 22 -9.311 5.461 -18.933 1.00 0.00 C ATOM 980 OH TYR C 22 -10.635 5.070 -18.955 1.00 0.00 O ATOM 0 H TYR C 22 -4.324 5.413 -16.910 1.00 0.00 H new ATOM 0 HA TYR C 22 -4.743 4.716 -19.671 1.00 0.00 H new ATOM 0 HB2 TYR C 22 -4.946 7.207 -17.948 1.00 0.00 H new ATOM 0 HB3 TYR C 22 -4.974 7.373 -19.692 1.00 0.00 H new ATOM 0 HD1 TYR C 22 -6.800 6.389 -21.033 1.00 0.00 H new ATOM 0 HD2 TYR C 22 -6.757 6.024 -16.753 1.00 0.00 H new ATOM 0 HE1 TYR C 22 -9.176 5.687 -21.069 1.00 0.00 H new ATOM 0 HE2 TYR C 22 -9.138 5.323 -16.790 1.00 0.00 H new ATOM 0 HH TYR C 22 -10.941 4.899 -18.040 1.00 0.00 H new