USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 480 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 140:sc= -0.246 (180deg=-1.2!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 THR OG1 : rot -35:sc= 1.28 USER MOD Single : B 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 22 TYR OH : rot 180:sc= 0 USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : C 1 GLY N :NH3+ -152:sc= 0.00702 (180deg=0) USER MOD Single : C 15 THR OG1 : rot 180:sc= 0 USER MOD Single : C 17 MET CE :methyl -123:sc=-0.00696 (180deg=-0.124) USER MOD Single : C 22 TYR OH : rot 180:sc= 0 USER MOD Single : C 24 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.324 -3.742 7.369 1.00 0.00 N ATOM 2 CA GLY A 1 18.542 -4.509 6.104 1.00 0.00 C ATOM 3 C GLY A 1 17.260 -4.502 5.279 1.00 0.00 C ATOM 4 O GLY A 1 17.093 -3.669 4.387 1.00 0.00 O ATOM 0 H1 GLY A 1 19.198 -3.746 7.933 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.064 -2.761 7.140 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.558 -4.184 7.916 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.357 -4.065 5.533 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.834 -5.534 6.333 1.00 0.00 H new ATOM 10 N LEU A 2 16.358 -5.431 5.584 1.00 0.00 N ATOM 11 CA LEU A 2 15.085 -5.517 4.864 1.00 0.00 C ATOM 12 C LEU A 2 14.299 -4.234 5.028 1.00 0.00 C ATOM 13 O LEU A 2 13.818 -3.658 4.042 1.00 0.00 O ATOM 14 CB LEU A 2 14.257 -6.695 5.404 1.00 0.00 C ATOM 15 CG LEU A 2 12.905 -6.777 4.654 1.00 0.00 C ATOM 16 CD1 LEU A 2 13.152 -7.046 3.159 1.00 0.00 C ATOM 17 CD2 LEU A 2 12.065 -7.915 5.245 1.00 0.00 C ATOM 0 H LEU A 2 16.480 -6.130 6.317 1.00 0.00 H new ATOM 0 HA LEU A 2 15.295 -5.673 3.806 1.00 0.00 H new ATOM 0 HB2 LEU A 2 14.809 -7.626 5.279 1.00 0.00 H new ATOM 0 HB3 LEU A 2 14.083 -6.569 6.473 1.00 0.00 H new ATOM 0 HG LEU A 2 12.374 -5.832 4.765 1.00 0.00 H new ATOM 0 HD11 LEU A 2 12.197 -7.103 2.637 1.00 0.00 H new ATOM 0 HD12 LEU A 2 13.749 -6.237 2.737 1.00 0.00 H new ATOM 0 HD13 LEU A 2 13.686 -7.989 3.042 1.00 0.00 H new ATOM 0 HD21 LEU A 2 11.112 -7.975 4.719 1.00 0.00 H new ATOM 0 HD22 LEU A 2 12.601 -8.858 5.135 1.00 0.00 H new ATOM 0 HD23 LEU A 2 11.884 -7.722 6.302 1.00 0.00 H new ATOM 29 N PHE A 3 14.166 -3.778 6.262 1.00 0.00 N ATOM 30 CA PHE A 3 13.433 -2.555 6.521 1.00 0.00 C ATOM 31 C PHE A 3 14.154 -1.373 5.895 1.00 0.00 C ATOM 32 O PHE A 3 13.517 -0.476 5.338 1.00 0.00 O ATOM 33 CB PHE A 3 13.272 -2.335 8.032 1.00 0.00 C ATOM 34 CG PHE A 3 12.425 -3.452 8.622 1.00 0.00 C ATOM 35 CD1 PHE A 3 11.066 -3.541 8.303 1.00 0.00 C ATOM 36 CD2 PHE A 3 13.005 -4.397 9.488 1.00 0.00 C ATOM 37 CE1 PHE A 3 10.284 -4.568 8.845 1.00 0.00 C ATOM 38 CE2 PHE A 3 12.220 -5.424 10.030 1.00 0.00 C ATOM 39 CZ PHE A 3 10.860 -5.510 9.708 1.00 0.00 C ATOM 0 H PHE A 3 14.552 -4.231 7.090 1.00 0.00 H new ATOM 0 HA PHE A 3 12.442 -2.642 6.076 1.00 0.00 H new ATOM 0 HB2 PHE A 3 14.250 -2.313 8.513 1.00 0.00 H new ATOM 0 HB3 PHE A 3 12.802 -1.370 8.221 1.00 0.00 H new ATOM 0 HD1 PHE A 3 10.619 -2.817 7.638 1.00 0.00 H new ATOM 0 HD2 PHE A 3 14.054 -4.331 9.735 1.00 0.00 H new ATOM 0 HE1 PHE A 3 9.235 -4.634 8.598 1.00 0.00 H new ATOM 0 HE2 PHE A 3 12.664 -6.149 10.696 1.00 0.00 H new ATOM 0 HZ PHE A 3 10.255 -6.302 10.125 1.00 0.00 H new ATOM 49 N GLY A 4 15.477 -1.371 5.975 1.00 0.00 N ATOM 50 CA GLY A 4 16.258 -0.287 5.397 1.00 0.00 C ATOM 51 C GLY A 4 16.043 -0.204 3.883 1.00 0.00 C ATOM 52 O GLY A 4 16.031 0.884 3.310 1.00 0.00 O ATOM 0 H GLY A 4 16.027 -2.100 6.429 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.975 0.658 5.861 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.316 -0.442 5.610 1.00 0.00 H new ATOM 56 N ALA A 5 15.880 -1.367 3.244 1.00 0.00 N ATOM 57 CA ALA A 5 15.673 -1.414 1.797 1.00 0.00 C ATOM 58 C ALA A 5 14.349 -0.742 1.418 1.00 0.00 C ATOM 59 O ALA A 5 14.274 -0.005 0.433 1.00 0.00 O ATOM 60 CB ALA A 5 15.673 -2.888 1.312 1.00 0.00 C ATOM 0 H ALA A 5 15.887 -2.278 3.702 1.00 0.00 H new ATOM 0 HA ALA A 5 16.487 -0.874 1.313 1.00 0.00 H new ATOM 0 HB1 ALA A 5 15.518 -2.916 0.233 1.00 0.00 H new ATOM 0 HB2 ALA A 5 16.630 -3.351 1.554 1.00 0.00 H new ATOM 0 HB3 ALA A 5 14.871 -3.434 1.808 1.00 0.00 H new ATOM 66 N ILE A 6 13.314 -1.000 2.207 1.00 0.00 N ATOM 67 CA ILE A 6 12.008 -0.415 1.941 1.00 0.00 C ATOM 68 C ILE A 6 12.050 1.103 2.136 1.00 0.00 C ATOM 69 O ILE A 6 11.536 1.861 1.311 1.00 0.00 O ATOM 70 CB ILE A 6 10.961 -1.028 2.869 1.00 0.00 C ATOM 71 CG1 ILE A 6 10.894 -2.546 2.629 1.00 0.00 C ATOM 72 CG2 ILE A 6 9.592 -0.403 2.578 1.00 0.00 C ATOM 73 CD1 ILE A 6 10.032 -3.196 3.703 1.00 0.00 C ATOM 0 H ILE A 6 13.353 -1.604 3.028 1.00 0.00 H new ATOM 0 HA ILE A 6 11.738 -0.627 0.906 1.00 0.00 H new ATOM 0 HB ILE A 6 11.234 -0.835 3.906 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.479 -2.750 1.642 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.897 -2.972 2.647 1.00 0.00 H new ATOM 0 HG21 ILE A 6 8.844 -0.840 3.240 1.00 0.00 H new ATOM 0 HG22 ILE A 6 9.640 0.673 2.745 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.316 -0.597 1.541 1.00 0.00 H new ATOM 0 HD11 ILE A 6 9.986 -4.271 3.531 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.466 -3.004 4.684 1.00 0.00 H new ATOM 0 HD13 ILE A 6 9.026 -2.779 3.664 1.00 0.00 H new ATOM 85 N ALA A 7 12.665 1.535 3.227 1.00 0.00 N ATOM 86 CA ALA A 7 12.768 2.965 3.522 1.00 0.00 C ATOM 87 C ALA A 7 13.650 3.663 2.485 1.00 0.00 C ATOM 88 O ALA A 7 13.326 4.753 2.008 1.00 0.00 O ATOM 89 CB ALA A 7 13.356 3.170 4.927 1.00 0.00 C ATOM 0 H ALA A 7 13.098 0.925 3.920 1.00 0.00 H new ATOM 0 HA ALA A 7 11.769 3.400 3.483 1.00 0.00 H new ATOM 0 HB1 ALA A 7 13.429 4.237 5.139 1.00 0.00 H new ATOM 0 HB2 ALA A 7 12.708 2.697 5.665 1.00 0.00 H new ATOM 0 HB3 ALA A 7 14.348 2.722 4.975 1.00 0.00 H new ATOM 95 N ALA A 8 14.756 3.032 2.146 1.00 0.00 N ATOM 96 CA ALA A 8 15.670 3.595 1.173 1.00 0.00 C ATOM 97 C ALA A 8 15.043 3.588 -0.211 1.00 0.00 C ATOM 98 O ALA A 8 15.363 4.425 -1.048 1.00 0.00 O ATOM 99 CB ALA A 8 16.956 2.796 1.153 1.00 0.00 C ATOM 0 H ALA A 8 15.043 2.131 2.529 1.00 0.00 H new ATOM 0 HA ALA A 8 15.887 4.625 1.455 1.00 0.00 H new ATOM 0 HB1 ALA A 8 17.639 3.224 0.419 1.00 0.00 H new ATOM 0 HB2 ALA A 8 17.418 2.826 2.140 1.00 0.00 H new ATOM 0 HB3 ALA A 8 16.738 1.762 0.885 1.00 0.00 H new ATOM 105 N PHE A 9 14.142 2.636 -0.446 1.00 0.00 N ATOM 106 CA PHE A 9 13.474 2.533 -1.735 1.00 0.00 C ATOM 107 C PHE A 9 12.585 3.743 -1.978 1.00 0.00 C ATOM 108 O PHE A 9 12.529 4.267 -3.073 1.00 0.00 O ATOM 109 CB PHE A 9 12.628 1.254 -1.788 1.00 0.00 C ATOM 110 CG PHE A 9 11.820 1.226 -3.081 1.00 0.00 C ATOM 111 CD1 PHE A 9 12.479 1.208 -4.321 1.00 0.00 C ATOM 112 CD2 PHE A 9 10.416 1.215 -3.036 1.00 0.00 C ATOM 113 CE1 PHE A 9 11.737 1.182 -5.507 1.00 0.00 C ATOM 114 CE2 PHE A 9 9.677 1.189 -4.224 1.00 0.00 C ATOM 115 CZ PHE A 9 10.337 1.173 -5.460 1.00 0.00 C ATOM 0 H PHE A 9 13.861 1.931 0.236 1.00 0.00 H new ATOM 0 HA PHE A 9 14.236 2.496 -2.513 1.00 0.00 H new ATOM 0 HB2 PHE A 9 13.273 0.377 -1.732 1.00 0.00 H new ATOM 0 HB3 PHE A 9 11.959 1.213 -0.929 1.00 0.00 H new ATOM 0 HD1 PHE A 9 13.558 1.214 -4.359 1.00 0.00 H new ATOM 0 HD2 PHE A 9 9.907 1.227 -2.084 1.00 0.00 H new ATOM 0 HE1 PHE A 9 12.244 1.169 -6.460 1.00 0.00 H new ATOM 0 HE2 PHE A 9 8.598 1.181 -4.188 1.00 0.00 H new ATOM 0 HZ PHE A 9 9.766 1.154 -6.377 1.00 0.00 H new ATOM 125 N ILE A 10 11.899 4.170 -0.946 1.00 0.00 N ATOM 126 CA ILE A 10 11.016 5.318 -1.053 1.00 0.00 C ATOM 127 C ILE A 10 11.816 6.623 -1.096 1.00 0.00 C ATOM 128 O ILE A 10 11.349 7.622 -1.644 1.00 0.00 O ATOM 129 CB ILE A 10 10.055 5.348 0.140 1.00 0.00 C ATOM 130 CG1 ILE A 10 9.282 4.025 0.200 1.00 0.00 C ATOM 131 CG2 ILE A 10 9.066 6.499 -0.033 1.00 0.00 C ATOM 132 CD1 ILE A 10 8.512 3.940 1.515 1.00 0.00 C ATOM 0 H ILE A 10 11.931 3.743 -0.020 1.00 0.00 H new ATOM 0 HA ILE A 10 10.450 5.227 -1.980 1.00 0.00 H new ATOM 0 HB ILE A 10 10.621 5.487 1.061 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.593 3.957 -0.642 1.00 0.00 H new ATOM 0 HG13 ILE A 10 9.972 3.185 0.116 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.382 6.521 0.815 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.610 7.442 -0.085 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.499 6.356 -0.953 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.963 2.999 1.555 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.211 3.988 2.350 1.00 0.00 H new ATOM 0 HD13 ILE A 10 7.811 4.772 1.580 1.00 0.00 H new ATOM 144 N GLU A 11 13.020 6.618 -0.490 1.00 0.00 N ATOM 145 CA GLU A 11 13.874 7.833 -0.445 1.00 0.00 C ATOM 146 C GLU A 11 14.907 7.866 -1.593 1.00 0.00 C ATOM 147 O GLU A 11 14.983 8.843 -2.338 1.00 0.00 O ATOM 148 CB GLU A 11 14.626 7.859 0.894 1.00 0.00 C ATOM 149 CG GLU A 11 13.715 8.425 1.986 1.00 0.00 C ATOM 150 CD GLU A 11 12.408 7.644 2.033 1.00 0.00 C ATOM 151 OE1 GLU A 11 11.533 7.946 1.242 1.00 0.00 O ATOM 152 OE2 GLU A 11 12.303 6.755 2.861 1.00 0.00 O ATOM 0 H GLU A 11 13.423 5.802 -0.030 1.00 0.00 H new ATOM 0 HA GLU A 11 13.224 8.701 -0.554 1.00 0.00 H new ATOM 0 HB2 GLU A 11 14.948 6.852 1.161 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.525 8.468 0.805 1.00 0.00 H new ATOM 0 HG2 GLU A 11 14.216 8.370 2.953 1.00 0.00 H new ATOM 0 HG3 GLU A 11 13.512 9.478 1.791 1.00 0.00 H new ATOM 159 N GLY A 12 15.708 6.801 -1.705 1.00 0.00 N ATOM 160 CA GLY A 12 16.747 6.735 -2.754 1.00 0.00 C ATOM 161 C GLY A 12 16.326 5.819 -3.878 1.00 0.00 C ATOM 162 O GLY A 12 17.155 5.195 -4.532 1.00 0.00 O ATOM 0 H GLY A 12 15.664 5.983 -1.097 1.00 0.00 H new ATOM 0 HA2 GLY A 12 16.936 7.734 -3.146 1.00 0.00 H new ATOM 0 HA3 GLY A 12 17.683 6.380 -2.322 1.00 0.00 H new ATOM 166 N GLY A 13 15.023 5.753 -4.109 1.00 0.00 N ATOM 167 CA GLY A 13 14.475 4.914 -5.173 1.00 0.00 C ATOM 168 C GLY A 13 15.171 3.559 -5.231 1.00 0.00 C ATOM 169 O GLY A 13 15.606 3.032 -4.212 1.00 0.00 O ATOM 0 H GLY A 13 14.323 6.269 -3.576 1.00 0.00 H new ATOM 0 HA2 GLY A 13 13.407 4.769 -5.010 1.00 0.00 H new ATOM 0 HA3 GLY A 13 14.585 5.422 -6.131 1.00 0.00 H new ATOM 173 N TRP A 14 15.269 3.007 -6.429 1.00 0.00 N ATOM 174 CA TRP A 14 15.911 1.710 -6.614 1.00 0.00 C ATOM 175 C TRP A 14 17.346 1.730 -6.061 1.00 0.00 C ATOM 176 O TRP A 14 17.799 0.760 -5.457 1.00 0.00 O ATOM 177 CB TRP A 14 15.931 1.343 -8.099 1.00 0.00 C ATOM 178 CG TRP A 14 16.526 -0.003 -8.261 1.00 0.00 C ATOM 179 CD1 TRP A 14 17.839 -0.268 -8.201 1.00 0.00 C ATOM 180 CD2 TRP A 14 15.858 -1.274 -8.503 1.00 0.00 C ATOM 181 NE1 TRP A 14 18.030 -1.626 -8.387 1.00 0.00 N ATOM 182 CE2 TRP A 14 16.832 -2.288 -8.578 1.00 0.00 C ATOM 183 CE3 TRP A 14 14.506 -1.639 -8.662 1.00 0.00 C ATOM 184 CZ2 TRP A 14 16.493 -3.616 -8.802 1.00 0.00 C ATOM 185 CZ3 TRP A 14 14.156 -2.987 -8.889 1.00 0.00 C ATOM 186 CH2 TRP A 14 15.154 -3.970 -8.959 1.00 0.00 C ATOM 0 H TRP A 14 14.915 3.432 -7.286 1.00 0.00 H new ATOM 0 HA TRP A 14 15.339 0.961 -6.066 1.00 0.00 H new ATOM 0 HB2 TRP A 14 14.919 1.357 -8.503 1.00 0.00 H new ATOM 0 HB3 TRP A 14 16.508 2.078 -8.660 1.00 0.00 H new ATOM 0 HD1 TRP A 14 18.620 0.459 -8.035 1.00 0.00 H new ATOM 0 HE1 TRP A 14 18.942 -2.082 -8.384 1.00 0.00 H new ATOM 0 HE3 TRP A 14 13.735 -0.884 -8.610 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 17.263 -4.371 -8.854 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 13.119 -3.262 -9.009 1.00 0.00 H new ATOM 0 HH2 TRP A 14 14.885 -5.001 -9.135 1.00 0.00 H new ATOM 197 N THR A 15 18.039 2.838 -6.265 1.00 0.00 N ATOM 198 CA THR A 15 19.412 2.977 -5.774 1.00 0.00 C ATOM 199 C THR A 15 19.453 2.863 -4.245 1.00 0.00 C ATOM 200 O THR A 15 20.392 2.310 -3.680 1.00 0.00 O ATOM 201 CB THR A 15 19.982 4.337 -6.209 1.00 0.00 C ATOM 202 OG1 THR A 15 19.828 4.484 -7.617 1.00 0.00 O ATOM 203 CG2 THR A 15 21.467 4.421 -5.842 1.00 0.00 C ATOM 0 H THR A 15 17.682 3.653 -6.763 1.00 0.00 H new ATOM 0 HA THR A 15 20.017 2.176 -6.198 1.00 0.00 H new ATOM 0 HB THR A 15 19.444 5.135 -5.697 1.00 0.00 H new ATOM 0 HG1 THR A 15 20.189 5.351 -7.897 1.00 0.00 H new ATOM 0 HG21 THR A 15 21.865 5.387 -6.153 1.00 0.00 H new ATOM 0 HG22 THR A 15 21.582 4.311 -4.764 1.00 0.00 H new ATOM 0 HG23 THR A 15 22.012 3.624 -6.348 1.00 0.00 H new ATOM 211 N GLY A 16 18.432 3.388 -3.595 1.00 0.00 N ATOM 212 CA GLY A 16 18.349 3.341 -2.134 1.00 0.00 C ATOM 213 C GLY A 16 18.081 1.919 -1.637 1.00 0.00 C ATOM 214 O GLY A 16 18.596 1.511 -0.598 1.00 0.00 O ATOM 0 H GLY A 16 17.645 3.853 -4.048 1.00 0.00 H new ATOM 0 HA2 GLY A 16 19.280 3.710 -1.703 1.00 0.00 H new ATOM 0 HA3 GLY A 16 17.554 4.004 -1.791 1.00 0.00 H new ATOM 218 N MET A 17 17.284 1.170 -2.381 1.00 0.00 N ATOM 219 CA MET A 17 16.973 -0.196 -1.990 1.00 0.00 C ATOM 220 C MET A 17 18.250 -1.015 -1.885 1.00 0.00 C ATOM 221 O MET A 17 18.448 -1.746 -0.911 1.00 0.00 O ATOM 222 CB MET A 17 16.022 -0.837 -3.009 1.00 0.00 C ATOM 223 CG MET A 17 15.496 -2.162 -2.464 1.00 0.00 C ATOM 224 SD MET A 17 14.334 -2.891 -3.659 1.00 0.00 S ATOM 225 CE MET A 17 15.525 -3.200 -4.996 1.00 0.00 C ATOM 0 H MET A 17 16.845 1.479 -3.248 1.00 0.00 H new ATOM 0 HA MET A 17 16.484 -0.177 -1.016 1.00 0.00 H new ATOM 0 HB2 MET A 17 15.191 -0.164 -3.218 1.00 0.00 H new ATOM 0 HB3 MET A 17 16.543 -1.002 -3.952 1.00 0.00 H new ATOM 0 HG2 MET A 17 16.324 -2.847 -2.282 1.00 0.00 H new ATOM 0 HG3 MET A 17 14.998 -2.002 -1.508 1.00 0.00 H new ATOM 0 HE1 MET A 17 15.309 -4.162 -5.460 1.00 0.00 H new ATOM 0 HE2 MET A 17 15.446 -2.411 -5.743 1.00 0.00 H new ATOM 0 HE3 MET A 17 16.535 -3.213 -4.587 1.00 0.00 H new ATOM 235 N ILE A 18 19.122 -0.888 -2.882 1.00 0.00 N ATOM 236 CA ILE A 18 20.375 -1.625 -2.869 1.00 0.00 C ATOM 237 C ILE A 18 21.234 -1.202 -1.683 1.00 0.00 C ATOM 238 O ILE A 18 21.716 -2.045 -0.925 1.00 0.00 O ATOM 239 CB ILE A 18 21.139 -1.390 -4.170 1.00 0.00 C ATOM 240 CG1 ILE A 18 20.219 -1.719 -5.357 1.00 0.00 C ATOM 241 CG2 ILE A 18 22.376 -2.308 -4.209 1.00 0.00 C ATOM 242 CD1 ILE A 18 20.946 -1.439 -6.691 1.00 0.00 C ATOM 0 H ILE A 18 18.984 -0.290 -3.697 1.00 0.00 H new ATOM 0 HA ILE A 18 20.146 -2.687 -2.775 1.00 0.00 H new ATOM 0 HB ILE A 18 21.459 -0.350 -4.229 1.00 0.00 H new ATOM 0 HG12 ILE A 18 19.916 -2.765 -5.312 1.00 0.00 H new ATOM 0 HG13 ILE A 18 19.310 -1.121 -5.298 1.00 0.00 H new ATOM 0 HG21 ILE A 18 22.923 -2.142 -5.137 1.00 0.00 H new ATOM 0 HG22 ILE A 18 23.023 -2.083 -3.361 1.00 0.00 H new ATOM 0 HG23 ILE A 18 22.058 -3.349 -4.156 1.00 0.00 H new ATOM 0 HD11 ILE A 18 20.283 -1.676 -7.523 1.00 0.00 H new ATOM 0 HD12 ILE A 18 21.226 -0.387 -6.739 1.00 0.00 H new ATOM 0 HD13 ILE A 18 21.842 -2.056 -6.754 1.00 0.00 H new ATOM 254 N ASP A 19 21.431 0.105 -1.530 1.00 0.00 N ATOM 255 CA ASP A 19 22.244 0.621 -0.433 1.00 0.00 C ATOM 256 C ASP A 19 21.629 0.255 0.922 1.00 0.00 C ATOM 257 O ASP A 19 22.321 0.226 1.937 1.00 0.00 O ATOM 258 CB ASP A 19 22.368 2.144 -0.545 1.00 0.00 C ATOM 259 CG ASP A 19 23.426 2.656 0.426 1.00 0.00 C ATOM 260 OD1 ASP A 19 23.171 2.632 1.618 1.00 0.00 O ATOM 261 OD2 ASP A 19 24.476 3.067 -0.038 1.00 0.00 O ATOM 0 H ASP A 19 21.043 0.820 -2.145 1.00 0.00 H new ATOM 0 HA ASP A 19 23.233 0.168 -0.500 1.00 0.00 H new ATOM 0 HB2 ASP A 19 22.635 2.421 -1.565 1.00 0.00 H new ATOM 0 HB3 ASP A 19 21.408 2.612 -0.328 1.00 0.00 H new ATOM 266 N GLY A 20 20.328 -0.020 0.931 1.00 0.00 N ATOM 267 CA GLY A 20 19.644 -0.381 2.175 1.00 0.00 C ATOM 268 C GLY A 20 19.834 -1.864 2.498 1.00 0.00 C ATOM 269 O GLY A 20 20.039 -2.234 3.656 1.00 0.00 O ATOM 0 H GLY A 20 19.730 -0.001 0.105 1.00 0.00 H new ATOM 0 HA2 GLY A 20 20.030 0.225 2.995 1.00 0.00 H new ATOM 0 HA3 GLY A 20 18.581 -0.158 2.087 1.00 0.00 H new ATOM 273 N TRP A 21 19.765 -2.706 1.469 1.00 0.00 N ATOM 274 CA TRP A 21 19.931 -4.150 1.658 1.00 0.00 C ATOM 275 C TRP A 21 21.412 -4.507 1.833 1.00 0.00 C ATOM 276 O TRP A 21 21.749 -5.472 2.520 1.00 0.00 O ATOM 277 CB TRP A 21 19.357 -4.912 0.453 1.00 0.00 C ATOM 278 CG TRP A 21 19.633 -6.380 0.611 1.00 0.00 C ATOM 279 CD1 TRP A 21 20.678 -7.039 0.058 1.00 0.00 C ATOM 280 CD2 TRP A 21 18.875 -7.367 1.356 1.00 0.00 C ATOM 281 NE1 TRP A 21 20.608 -8.372 0.427 1.00 0.00 N ATOM 282 CE2 TRP A 21 19.512 -8.621 1.227 1.00 0.00 C ATOM 283 CE3 TRP A 21 17.705 -7.296 2.130 1.00 0.00 C ATOM 284 CZ2 TRP A 21 19.012 -9.761 1.837 1.00 0.00 C ATOM 285 CZ3 TRP A 21 17.195 -8.452 2.751 1.00 0.00 C ATOM 286 CH2 TRP A 21 17.852 -9.682 2.601 1.00 0.00 C ATOM 0 H TRP A 21 19.597 -2.420 0.504 1.00 0.00 H new ATOM 0 HA TRP A 21 19.391 -4.439 2.559 1.00 0.00 H new ATOM 0 HB2 TRP A 21 18.283 -4.739 0.378 1.00 0.00 H new ATOM 0 HB3 TRP A 21 19.805 -4.544 -0.470 1.00 0.00 H new ATOM 0 HD1 TRP A 21 21.440 -6.598 -0.567 1.00 0.00 H new ATOM 0 HE1 TRP A 21 21.283 -9.082 0.143 1.00 0.00 H new ATOM 0 HE3 TRP A 21 17.195 -6.352 2.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 19.521 -10.706 1.720 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 16.295 -8.391 3.345 1.00 0.00 H new ATOM 0 HH2 TRP A 21 17.458 -10.567 3.078 1.00 0.00 H new ATOM 297 N TYR A 22 22.289 -3.722 1.214 1.00 0.00 N ATOM 298 CA TYR A 22 23.730 -3.968 1.318 1.00 0.00 C ATOM 299 C TYR A 22 24.268 -3.428 2.637 1.00 0.00 C ATOM 300 O TYR A 22 25.120 -4.047 3.269 1.00 0.00 O ATOM 301 CB TYR A 22 24.465 -3.293 0.140 1.00 0.00 C ATOM 302 CG TYR A 22 24.505 -4.244 -1.051 1.00 0.00 C ATOM 303 CD1 TYR A 22 23.312 -4.675 -1.643 1.00 0.00 C ATOM 304 CD2 TYR A 22 25.739 -4.687 -1.558 1.00 0.00 C ATOM 305 CE1 TYR A 22 23.350 -5.550 -2.738 1.00 0.00 C ATOM 306 CE2 TYR A 22 25.773 -5.560 -2.652 1.00 0.00 C ATOM 307 CZ TYR A 22 24.580 -5.991 -3.242 1.00 0.00 C ATOM 308 OH TYR A 22 24.617 -6.853 -4.318 1.00 0.00 O ATOM 0 H TYR A 22 22.035 -2.918 0.640 1.00 0.00 H new ATOM 0 HA TYR A 22 23.903 -5.044 1.282 1.00 0.00 H new ATOM 0 HB2 TYR A 22 23.958 -2.369 -0.137 1.00 0.00 H new ATOM 0 HB3 TYR A 22 25.479 -3.023 0.437 1.00 0.00 H new ATOM 0 HD1 TYR A 22 22.363 -4.334 -1.257 1.00 0.00 H new ATOM 0 HD2 TYR A 22 26.661 -4.354 -1.104 1.00 0.00 H new ATOM 0 HE1 TYR A 22 22.430 -5.884 -3.193 1.00 0.00 H new ATOM 0 HE2 TYR A 22 26.721 -5.901 -3.041 1.00 0.00 H new ATOM 0 HH TYR A 22 25.549 -7.058 -4.541 1.00 0.00 H new ATOM 318 N GLY A 23 23.765 -2.271 3.045 1.00 0.00 N ATOM 319 CA GLY A 23 24.205 -1.658 4.290 1.00 0.00 C ATOM 320 C GLY A 23 23.701 -2.450 5.493 1.00 0.00 C ATOM 321 O GLY A 23 22.495 -2.619 5.673 1.00 0.00 O ATOM 0 H GLY A 23 23.057 -1.741 2.536 1.00 0.00 H new ATOM 0 HA2 GLY A 23 25.294 -1.609 4.311 1.00 0.00 H new ATOM 0 HA3 GLY A 23 23.839 -0.633 4.345 1.00 0.00 H new ATOM 325 N SER A 24 24.629 -2.934 6.314 1.00 0.00 N ATOM 326 CA SER A 24 24.259 -3.711 7.503 1.00 0.00 C ATOM 327 C SER A 24 25.235 -3.441 8.642 1.00 0.00 C ATOM 328 O SER A 24 25.945 -2.452 8.563 1.00 0.00 O ATOM 329 CB SER A 24 24.259 -5.202 7.172 1.00 0.00 C ATOM 330 OG SER A 24 24.021 -5.951 8.365 1.00 0.00 O ATOM 0 H SER A 24 25.633 -2.806 6.184 1.00 0.00 H new ATOM 0 HA SER A 24 23.260 -3.409 7.816 1.00 0.00 H new ATOM 0 HB2 SER A 24 23.490 -5.422 6.432 1.00 0.00 H new ATOM 0 HB3 SER A 24 25.215 -5.489 6.734 1.00 0.00 H new ATOM 0 HG SER A 24 24.019 -6.908 8.155 1.00 0.00 H new TER 336 SER A 24 ATOM 337 N GLY B 1 38.162 -3.514 7.671 1.00 0.00 N ATOM 338 CA GLY B 1 37.938 -4.780 6.916 1.00 0.00 C ATOM 339 C GLY B 1 36.773 -4.600 5.957 1.00 0.00 C ATOM 340 O GLY B 1 36.837 -3.793 5.027 1.00 0.00 O ATOM 0 H1 GLY B 1 38.959 -3.638 8.327 1.00 0.00 H new ATOM 0 H2 GLY B 1 38.378 -2.746 7.004 1.00 0.00 H new ATOM 0 H3 GLY B 1 37.305 -3.274 8.209 1.00 0.00 H new ATOM 0 HA2 GLY B 1 38.838 -5.051 6.364 1.00 0.00 H new ATOM 0 HA3 GLY B 1 37.730 -5.596 7.608 1.00 0.00 H new ATOM 346 N LEU B 2 35.711 -5.354 6.187 1.00 0.00 N ATOM 347 CA LEU B 2 34.532 -5.276 5.338 1.00 0.00 C ATOM 348 C LEU B 2 33.964 -3.866 5.346 1.00 0.00 C ATOM 349 O LEU B 2 33.643 -3.310 4.296 1.00 0.00 O ATOM 350 CB LEU B 2 33.460 -6.261 5.841 1.00 0.00 C ATOM 351 CG LEU B 2 32.238 -6.273 4.857 1.00 0.00 C ATOM 352 CD1 LEU B 2 32.543 -7.179 3.669 1.00 0.00 C ATOM 353 CD2 LEU B 2 30.980 -6.802 5.589 1.00 0.00 C ATOM 0 H LEU B 2 35.640 -6.025 6.952 1.00 0.00 H new ATOM 0 HA LEU B 2 34.820 -5.537 4.320 1.00 0.00 H new ATOM 0 HB2 LEU B 2 33.883 -7.262 5.921 1.00 0.00 H new ATOM 0 HB3 LEU B 2 33.131 -5.974 6.840 1.00 0.00 H new ATOM 0 HG LEU B 2 32.056 -5.257 4.506 1.00 0.00 H new ATOM 0 HD11 LEU B 2 31.692 -7.185 2.988 1.00 0.00 H new ATOM 0 HD12 LEU B 2 33.424 -6.808 3.146 1.00 0.00 H new ATOM 0 HD13 LEU B 2 32.731 -8.193 4.023 1.00 0.00 H new ATOM 0 HD21 LEU B 2 30.134 -6.808 4.901 1.00 0.00 H new ATOM 0 HD22 LEU B 2 31.165 -7.815 5.945 1.00 0.00 H new ATOM 0 HD23 LEU B 2 30.753 -6.155 6.437 1.00 0.00 H new ATOM 365 N PHE B 3 33.835 -3.294 6.536 1.00 0.00 N ATOM 366 CA PHE B 3 33.297 -1.952 6.667 1.00 0.00 C ATOM 367 C PHE B 3 34.117 -0.967 5.849 1.00 0.00 C ATOM 368 O PHE B 3 33.570 -0.120 5.156 1.00 0.00 O ATOM 369 CB PHE B 3 33.306 -1.523 8.135 1.00 0.00 C ATOM 370 CG PHE B 3 32.446 -2.469 8.948 1.00 0.00 C ATOM 371 CD1 PHE B 3 31.055 -2.433 8.818 1.00 0.00 C ATOM 372 CD2 PHE B 3 33.045 -3.380 9.833 1.00 0.00 C ATOM 373 CE1 PHE B 3 30.259 -3.307 9.569 1.00 0.00 C ATOM 374 CE2 PHE B 3 32.249 -4.252 10.584 1.00 0.00 C ATOM 375 CZ PHE B 3 30.856 -4.216 10.453 1.00 0.00 C ATOM 0 H PHE B 3 34.094 -3.737 7.417 1.00 0.00 H new ATOM 0 HA PHE B 3 32.272 -1.956 6.296 1.00 0.00 H new ATOM 0 HB2 PHE B 3 34.327 -1.524 8.518 1.00 0.00 H new ATOM 0 HB3 PHE B 3 32.931 -0.504 8.228 1.00 0.00 H new ATOM 0 HD1 PHE B 3 30.594 -1.731 8.139 1.00 0.00 H new ATOM 0 HD2 PHE B 3 34.120 -3.408 9.934 1.00 0.00 H new ATOM 0 HE1 PHE B 3 29.184 -3.280 9.467 1.00 0.00 H new ATOM 0 HE2 PHE B 3 32.709 -4.953 11.265 1.00 0.00 H new ATOM 0 HZ PHE B 3 30.241 -4.888 11.033 1.00 0.00 H new ATOM 385 N GLY B 4 35.436 -1.083 5.945 1.00 0.00 N ATOM 386 CA GLY B 4 36.332 -0.188 5.209 1.00 0.00 C ATOM 387 C GLY B 4 36.059 -0.249 3.711 1.00 0.00 C ATOM 388 O GLY B 4 35.870 0.775 3.064 1.00 0.00 O ATOM 0 H GLY B 4 35.910 -1.781 6.519 1.00 0.00 H new ATOM 0 HA2 GLY B 4 36.202 0.834 5.564 1.00 0.00 H new ATOM 0 HA3 GLY B 4 37.368 -0.464 5.405 1.00 0.00 H new ATOM 392 N ALA B 5 36.036 -1.457 3.171 1.00 0.00 N ATOM 393 CA ALA B 5 35.780 -1.643 1.752 1.00 0.00 C ATOM 394 C ALA B 5 34.489 -0.936 1.345 1.00 0.00 C ATOM 395 O ALA B 5 34.477 -0.136 0.409 1.00 0.00 O ATOM 396 CB ALA B 5 35.672 -3.150 1.434 1.00 0.00 C ATOM 0 H ALA B 5 36.191 -2.320 3.692 1.00 0.00 H new ATOM 0 HA ALA B 5 36.607 -1.212 1.188 1.00 0.00 H new ATOM 0 HB1 ALA B 5 35.480 -3.284 0.369 1.00 0.00 H new ATOM 0 HB2 ALA B 5 36.606 -3.646 1.700 1.00 0.00 H new ATOM 0 HB3 ALA B 5 34.854 -3.585 2.008 1.00 0.00 H new ATOM 402 N ILE B 6 33.412 -1.240 2.043 1.00 0.00 N ATOM 403 CA ILE B 6 32.123 -0.636 1.743 1.00 0.00 C ATOM 404 C ILE B 6 32.139 0.867 2.041 1.00 0.00 C ATOM 405 O ILE B 6 31.616 1.676 1.262 1.00 0.00 O ATOM 406 CB ILE B 6 31.037 -1.308 2.580 1.00 0.00 C ATOM 407 CG1 ILE B 6 30.927 -2.790 2.173 1.00 0.00 C ATOM 408 CG2 ILE B 6 29.686 -0.601 2.332 1.00 0.00 C ATOM 409 CD1 ILE B 6 30.106 -3.552 3.221 1.00 0.00 C ATOM 0 H ILE B 6 33.401 -1.900 2.821 1.00 0.00 H new ATOM 0 HA ILE B 6 31.916 -0.776 0.682 1.00 0.00 H new ATOM 0 HB ILE B 6 31.292 -1.238 3.637 1.00 0.00 H new ATOM 0 HG12 ILE B 6 30.455 -2.875 1.194 1.00 0.00 H new ATOM 0 HG13 ILE B 6 31.921 -3.228 2.086 1.00 0.00 H new ATOM 0 HG21 ILE B 6 28.910 -1.080 2.929 1.00 0.00 H new ATOM 0 HG22 ILE B 6 29.767 0.448 2.616 1.00 0.00 H new ATOM 0 HG23 ILE B 6 29.427 -0.672 1.276 1.00 0.00 H new ATOM 0 HD11 ILE B 6 30.029 -4.600 2.931 1.00 0.00 H new ATOM 0 HD12 ILE B 6 30.597 -3.479 4.191 1.00 0.00 H new ATOM 0 HD13 ILE B 6 29.108 -3.119 3.286 1.00 0.00 H new ATOM 421 N ALA B 7 32.729 1.231 3.178 1.00 0.00 N ATOM 422 CA ALA B 7 32.793 2.635 3.578 1.00 0.00 C ATOM 423 C ALA B 7 33.589 3.439 2.569 1.00 0.00 C ATOM 424 O ALA B 7 33.181 4.522 2.166 1.00 0.00 O ATOM 425 CB ALA B 7 33.439 2.753 4.966 1.00 0.00 C ATOM 0 H ALA B 7 33.165 0.581 3.832 1.00 0.00 H new ATOM 0 HA ALA B 7 31.779 3.033 3.618 1.00 0.00 H new ATOM 0 HB1 ALA B 7 33.484 3.802 5.258 1.00 0.00 H new ATOM 0 HB2 ALA B 7 32.844 2.199 5.692 1.00 0.00 H new ATOM 0 HB3 ALA B 7 34.448 2.342 4.934 1.00 0.00 H new ATOM 431 N ALA B 8 34.729 2.898 2.169 1.00 0.00 N ATOM 432 CA ALA B 8 35.588 3.570 1.202 1.00 0.00 C ATOM 433 C ALA B 8 34.925 3.608 -0.171 1.00 0.00 C ATOM 434 O ALA B 8 35.197 4.498 -0.974 1.00 0.00 O ATOM 435 CB ALA B 8 36.935 2.842 1.106 1.00 0.00 C ATOM 0 H ALA B 8 35.082 1.999 2.497 1.00 0.00 H new ATOM 0 HA ALA B 8 35.752 4.594 1.539 1.00 0.00 H new ATOM 0 HB1 ALA B 8 37.572 3.349 0.382 1.00 0.00 H new ATOM 0 HB2 ALA B 8 37.421 2.846 2.082 1.00 0.00 H new ATOM 0 HB3 ALA B 8 36.770 1.813 0.786 1.00 0.00 H new ATOM 441 N PHE B 9 34.058 2.640 -0.435 1.00 0.00 N ATOM 442 CA PHE B 9 33.373 2.581 -1.714 1.00 0.00 C ATOM 443 C PHE B 9 32.562 3.852 -1.940 1.00 0.00 C ATOM 444 O PHE B 9 32.650 4.475 -2.998 1.00 0.00 O ATOM 445 CB PHE B 9 32.440 1.363 -1.753 1.00 0.00 C ATOM 446 CG PHE B 9 31.956 1.139 -3.171 1.00 0.00 C ATOM 447 CD1 PHE B 9 32.777 0.482 -4.095 1.00 0.00 C ATOM 448 CD2 PHE B 9 30.685 1.588 -3.558 1.00 0.00 C ATOM 449 CE1 PHE B 9 32.329 0.275 -5.408 1.00 0.00 C ATOM 450 CE2 PHE B 9 30.237 1.381 -4.866 1.00 0.00 C ATOM 451 CZ PHE B 9 31.058 0.725 -5.793 1.00 0.00 C ATOM 0 H PHE B 9 33.815 1.892 0.215 1.00 0.00 H new ATOM 0 HA PHE B 9 34.119 2.491 -2.504 1.00 0.00 H new ATOM 0 HB2 PHE B 9 32.965 0.478 -1.393 1.00 0.00 H new ATOM 0 HB3 PHE B 9 31.590 1.522 -1.089 1.00 0.00 H new ATOM 0 HD1 PHE B 9 33.755 0.135 -3.797 1.00 0.00 H new ATOM 0 HD2 PHE B 9 30.052 2.094 -2.845 1.00 0.00 H new ATOM 0 HE1 PHE B 9 32.962 -0.231 -6.122 1.00 0.00 H new ATOM 0 HE2 PHE B 9 29.258 1.727 -5.162 1.00 0.00 H new ATOM 0 HZ PHE B 9 30.712 0.566 -6.804 1.00 0.00 H new ATOM 461 N ILE B 10 31.764 4.229 -0.939 1.00 0.00 N ATOM 462 CA ILE B 10 30.931 5.433 -1.046 1.00 0.00 C ATOM 463 C ILE B 10 31.729 6.681 -0.678 1.00 0.00 C ATOM 464 O ILE B 10 31.829 7.621 -1.470 1.00 0.00 O ATOM 465 CB ILE B 10 29.713 5.318 -0.110 1.00 0.00 C ATOM 466 CG1 ILE B 10 29.014 3.962 -0.336 1.00 0.00 C ATOM 467 CG2 ILE B 10 28.716 6.471 -0.407 1.00 0.00 C ATOM 468 CD1 ILE B 10 27.898 3.775 0.701 1.00 0.00 C ATOM 0 H ILE B 10 31.676 3.727 -0.055 1.00 0.00 H new ATOM 0 HA ILE B 10 30.595 5.520 -2.079 1.00 0.00 H new ATOM 0 HB ILE B 10 30.047 5.386 0.925 1.00 0.00 H new ATOM 0 HG12 ILE B 10 28.599 3.920 -1.343 1.00 0.00 H new ATOM 0 HG13 ILE B 10 29.738 3.151 -0.255 1.00 0.00 H new ATOM 0 HG21 ILE B 10 27.855 6.388 0.256 1.00 0.00 H new ATOM 0 HG22 ILE B 10 29.209 7.429 -0.243 1.00 0.00 H new ATOM 0 HG23 ILE B 10 28.383 6.407 -1.443 1.00 0.00 H new ATOM 0 HD11 ILE B 10 27.407 2.816 0.538 1.00 0.00 H new ATOM 0 HD12 ILE B 10 28.325 3.798 1.703 1.00 0.00 H new ATOM 0 HD13 ILE B 10 27.168 4.578 0.599 1.00 0.00 H new ATOM 480 N GLU B 11 32.285 6.692 0.530 1.00 0.00 N ATOM 481 CA GLU B 11 33.062 7.842 0.990 1.00 0.00 C ATOM 482 C GLU B 11 34.407 7.914 0.277 1.00 0.00 C ATOM 483 O GLU B 11 34.750 8.934 -0.322 1.00 0.00 O ATOM 484 CB GLU B 11 33.296 7.749 2.515 1.00 0.00 C ATOM 485 CG GLU B 11 31.998 8.094 3.269 1.00 0.00 C ATOM 486 CD GLU B 11 30.949 7.014 3.034 1.00 0.00 C ATOM 487 OE1 GLU B 11 31.334 5.870 2.864 1.00 0.00 O ATOM 488 OE2 GLU B 11 29.775 7.347 3.032 1.00 0.00 O ATOM 0 H GLU B 11 32.215 5.928 1.202 1.00 0.00 H new ATOM 0 HA GLU B 11 32.495 8.744 0.760 1.00 0.00 H new ATOM 0 HB2 GLU B 11 33.624 6.744 2.780 1.00 0.00 H new ATOM 0 HB3 GLU B 11 34.091 8.433 2.812 1.00 0.00 H new ATOM 0 HG2 GLU B 11 32.202 8.187 4.336 1.00 0.00 H new ATOM 0 HG3 GLU B 11 31.619 9.059 2.932 1.00 0.00 H new ATOM 495 N GLY B 12 35.164 6.833 0.348 1.00 0.00 N ATOM 496 CA GLY B 12 36.474 6.788 -0.289 1.00 0.00 C ATOM 497 C GLY B 12 36.345 6.705 -1.805 1.00 0.00 C ATOM 498 O GLY B 12 37.252 6.231 -2.490 1.00 0.00 O ATOM 0 H GLY B 12 34.899 5.978 0.837 1.00 0.00 H new ATOM 0 HA2 GLY B 12 37.044 7.676 -0.018 1.00 0.00 H new ATOM 0 HA3 GLY B 12 37.031 5.927 0.079 1.00 0.00 H new ATOM 502 N GLY B 13 35.214 7.170 -2.327 1.00 0.00 N ATOM 503 CA GLY B 13 34.983 7.141 -3.767 1.00 0.00 C ATOM 504 C GLY B 13 34.998 5.709 -4.291 1.00 0.00 C ATOM 505 O GLY B 13 35.840 4.908 -3.902 1.00 0.00 O ATOM 0 H GLY B 13 34.450 7.568 -1.781 1.00 0.00 H new ATOM 0 HA2 GLY B 13 34.024 7.606 -3.995 1.00 0.00 H new ATOM 0 HA3 GLY B 13 35.750 7.726 -4.274 1.00 0.00 H new ATOM 509 N TRP B 14 34.067 5.393 -5.182 1.00 0.00 N ATOM 510 CA TRP B 14 33.999 4.047 -5.753 1.00 0.00 C ATOM 511 C TRP B 14 35.035 3.890 -6.868 1.00 0.00 C ATOM 512 O TRP B 14 35.639 2.828 -7.023 1.00 0.00 O ATOM 513 CB TRP B 14 32.600 3.786 -6.305 1.00 0.00 C ATOM 514 CG TRP B 14 32.203 4.911 -7.201 1.00 0.00 C ATOM 515 CD1 TRP B 14 31.720 6.104 -6.782 1.00 0.00 C ATOM 516 CD2 TRP B 14 32.244 4.970 -8.656 1.00 0.00 C ATOM 517 NE1 TRP B 14 31.463 6.894 -7.891 1.00 0.00 N ATOM 518 CE2 TRP B 14 31.771 6.234 -9.071 1.00 0.00 C ATOM 519 CE3 TRP B 14 32.644 4.048 -9.652 1.00 0.00 C ATOM 520 CZ2 TRP B 14 31.696 6.581 -10.419 1.00 0.00 C ATOM 521 CZ3 TRP B 14 32.568 4.399 -11.016 1.00 0.00 C ATOM 522 CH2 TRP B 14 32.094 5.665 -11.395 1.00 0.00 C ATOM 0 H TRP B 14 33.355 6.039 -5.524 1.00 0.00 H new ATOM 0 HA TRP B 14 34.215 3.323 -4.968 1.00 0.00 H new ATOM 0 HB2 TRP B 14 32.584 2.845 -6.855 1.00 0.00 H new ATOM 0 HB3 TRP B 14 31.886 3.689 -5.487 1.00 0.00 H new ATOM 0 HD1 TRP B 14 31.561 6.392 -5.753 1.00 0.00 H new ATOM 0 HE1 TRP B 14 31.093 7.843 -7.845 1.00 0.00 H new ATOM 0 HE3 TRP B 14 33.009 3.072 -9.367 1.00 0.00 H new ATOM 0 HZ2 TRP B 14 31.331 7.556 -10.708 1.00 0.00 H new ATOM 0 HZ3 TRP B 14 32.876 3.691 -11.772 1.00 0.00 H new ATOM 0 HH2 TRP B 14 32.037 5.930 -12.440 1.00 0.00 H new ATOM 533 N THR B 15 35.236 4.954 -7.633 1.00 0.00 N ATOM 534 CA THR B 15 36.205 4.931 -8.727 1.00 0.00 C ATOM 535 C THR B 15 37.633 4.922 -8.188 1.00 0.00 C ATOM 536 O THR B 15 38.529 4.330 -8.788 1.00 0.00 O ATOM 537 CB THR B 15 36.007 6.159 -9.631 1.00 0.00 C ATOM 538 OG1 THR B 15 34.643 6.237 -10.021 1.00 0.00 O ATOM 539 CG2 THR B 15 36.900 6.034 -10.887 1.00 0.00 C ATOM 0 H THR B 15 34.745 5.841 -7.520 1.00 0.00 H new ATOM 0 HA THR B 15 36.043 4.021 -9.305 1.00 0.00 H new ATOM 0 HB THR B 15 36.284 7.061 -9.085 1.00 0.00 H new ATOM 0 HG1 THR B 15 34.282 5.333 -10.132 1.00 0.00 H new ATOM 0 HG21 THR B 15 36.756 6.907 -11.524 1.00 0.00 H new ATOM 0 HG22 THR B 15 37.946 5.974 -10.585 1.00 0.00 H new ATOM 0 HG23 THR B 15 36.629 5.134 -11.438 1.00 0.00 H new ATOM 547 N GLY B 16 37.843 5.592 -7.054 1.00 0.00 N ATOM 548 CA GLY B 16 39.172 5.656 -6.456 1.00 0.00 C ATOM 549 C GLY B 16 39.668 4.265 -6.057 1.00 0.00 C ATOM 550 O GLY B 16 40.840 3.939 -6.241 1.00 0.00 O ATOM 0 H GLY B 16 37.118 6.091 -6.538 1.00 0.00 H new ATOM 0 HA2 GLY B 16 39.870 6.105 -7.163 1.00 0.00 H new ATOM 0 HA3 GLY B 16 39.148 6.302 -5.578 1.00 0.00 H new ATOM 554 N MET B 17 38.768 3.452 -5.510 1.00 0.00 N ATOM 555 CA MET B 17 39.134 2.098 -5.088 1.00 0.00 C ATOM 556 C MET B 17 39.636 1.284 -6.275 1.00 0.00 C ATOM 557 O MET B 17 40.659 0.605 -6.186 1.00 0.00 O ATOM 558 CB MET B 17 37.924 1.401 -4.469 1.00 0.00 C ATOM 559 CG MET B 17 38.357 0.055 -3.863 1.00 0.00 C ATOM 560 SD MET B 17 37.058 -0.550 -2.748 1.00 0.00 S ATOM 561 CE MET B 17 36.271 -1.702 -3.900 1.00 0.00 C ATOM 0 H MET B 17 37.792 3.700 -5.349 1.00 0.00 H new ATOM 0 HA MET B 17 39.931 2.172 -4.348 1.00 0.00 H new ATOM 0 HB2 MET B 17 37.483 2.033 -3.698 1.00 0.00 H new ATOM 0 HB3 MET B 17 37.157 1.240 -5.227 1.00 0.00 H new ATOM 0 HG2 MET B 17 38.539 -0.671 -4.655 1.00 0.00 H new ATOM 0 HG3 MET B 17 39.293 0.173 -3.318 1.00 0.00 H new ATOM 0 HE1 MET B 17 35.431 -2.192 -3.408 1.00 0.00 H new ATOM 0 HE2 MET B 17 35.912 -1.156 -4.772 1.00 0.00 H new ATOM 0 HE3 MET B 17 36.995 -2.453 -4.215 1.00 0.00 H new ATOM 571 N ILE B 18 38.906 1.359 -7.388 1.00 0.00 N ATOM 572 CA ILE B 18 39.286 0.624 -8.594 1.00 0.00 C ATOM 573 C ILE B 18 40.659 1.071 -9.078 1.00 0.00 C ATOM 574 O ILE B 18 41.510 0.246 -9.408 1.00 0.00 O ATOM 575 CB ILE B 18 38.253 0.857 -9.697 1.00 0.00 C ATOM 576 CG1 ILE B 18 36.865 0.384 -9.210 1.00 0.00 C ATOM 577 CG2 ILE B 18 38.654 0.062 -10.946 1.00 0.00 C ATOM 578 CD1 ILE B 18 35.786 0.831 -10.205 1.00 0.00 C ATOM 0 H ILE B 18 38.056 1.916 -7.480 1.00 0.00 H new ATOM 0 HA ILE B 18 39.324 -0.438 -8.354 1.00 0.00 H new ATOM 0 HB ILE B 18 38.211 1.919 -9.939 1.00 0.00 H new ATOM 0 HG12 ILE B 18 36.854 -0.701 -9.111 1.00 0.00 H new ATOM 0 HG13 ILE B 18 36.656 0.796 -8.223 1.00 0.00 H new ATOM 0 HG21 ILE B 18 37.919 0.227 -11.734 1.00 0.00 H new ATOM 0 HG22 ILE B 18 39.634 0.394 -11.289 1.00 0.00 H new ATOM 0 HG23 ILE B 18 38.695 -1.000 -10.704 1.00 0.00 H new ATOM 0 HD11 ILE B 18 34.809 0.495 -9.857 1.00 0.00 H new ATOM 0 HD12 ILE B 18 35.790 1.918 -10.282 1.00 0.00 H new ATOM 0 HD13 ILE B 18 35.992 0.397 -11.184 1.00 0.00 H new ATOM 590 N ASP B 19 40.870 2.380 -9.117 1.00 0.00 N ATOM 591 CA ASP B 19 42.149 2.922 -9.561 1.00 0.00 C ATOM 592 C ASP B 19 43.267 2.484 -8.616 1.00 0.00 C ATOM 593 O ASP B 19 44.351 2.097 -9.053 1.00 0.00 O ATOM 594 CB ASP B 19 42.078 4.446 -9.606 1.00 0.00 C ATOM 595 CG ASP B 19 43.368 5.011 -10.179 1.00 0.00 C ATOM 596 OD1 ASP B 19 43.892 4.415 -11.105 1.00 0.00 O ATOM 597 OD2 ASP B 19 43.816 6.030 -9.684 1.00 0.00 O ATOM 0 H ASP B 19 40.179 3.081 -8.849 1.00 0.00 H new ATOM 0 HA ASP B 19 42.363 2.542 -10.560 1.00 0.00 H new ATOM 0 HB2 ASP B 19 41.231 4.761 -10.216 1.00 0.00 H new ATOM 0 HB3 ASP B 19 41.913 4.840 -8.603 1.00 0.00 H new ATOM 602 N GLY B 20 42.989 2.544 -7.319 1.00 0.00 N ATOM 603 CA GLY B 20 43.968 2.149 -6.313 1.00 0.00 C ATOM 604 C GLY B 20 44.293 0.663 -6.427 1.00 0.00 C ATOM 605 O GLY B 20 45.394 0.229 -6.090 1.00 0.00 O ATOM 0 H GLY B 20 42.097 2.861 -6.940 1.00 0.00 H new ATOM 0 HA2 GLY B 20 44.879 2.735 -6.435 1.00 0.00 H new ATOM 0 HA3 GLY B 20 43.581 2.366 -5.317 1.00 0.00 H new ATOM 609 N TRP B 21 43.322 -0.113 -6.900 1.00 0.00 N ATOM 610 CA TRP B 21 43.514 -1.553 -7.050 1.00 0.00 C ATOM 611 C TRP B 21 44.476 -1.850 -8.204 1.00 0.00 C ATOM 612 O TRP B 21 45.385 -2.669 -8.072 1.00 0.00 O ATOM 613 CB TRP B 21 42.157 -2.241 -7.307 1.00 0.00 C ATOM 614 CG TRP B 21 42.231 -3.678 -6.883 1.00 0.00 C ATOM 615 CD1 TRP B 21 42.490 -4.720 -7.705 1.00 0.00 C ATOM 616 CD2 TRP B 21 42.050 -4.240 -5.556 1.00 0.00 C ATOM 617 NE1 TRP B 21 42.480 -5.887 -6.962 1.00 0.00 N ATOM 618 CE2 TRP B 21 42.211 -5.639 -5.629 1.00 0.00 C ATOM 619 CE3 TRP B 21 41.761 -3.670 -4.298 1.00 0.00 C ATOM 620 CZ2 TRP B 21 42.091 -6.451 -4.507 1.00 0.00 C ATOM 621 CZ3 TRP B 21 41.640 -4.491 -3.159 1.00 0.00 C ATOM 622 CH2 TRP B 21 41.806 -5.880 -3.268 1.00 0.00 C ATOM 0 H TRP B 21 42.403 0.226 -7.184 1.00 0.00 H new ATOM 0 HA TRP B 21 43.946 -1.943 -6.128 1.00 0.00 H new ATOM 0 HB2 TRP B 21 41.368 -1.729 -6.755 1.00 0.00 H new ATOM 0 HB3 TRP B 21 41.900 -2.176 -8.364 1.00 0.00 H new ATOM 0 HD1 TRP B 21 42.674 -4.652 -8.767 1.00 0.00 H new ATOM 0 HE1 TRP B 21 42.650 -6.815 -7.350 1.00 0.00 H new ATOM 0 HE3 TRP B 21 41.632 -2.602 -4.208 1.00 0.00 H new ATOM 0 HZ2 TRP B 21 42.218 -7.520 -4.595 1.00 0.00 H new ATOM 0 HZ3 TRP B 21 41.419 -4.049 -2.199 1.00 0.00 H new ATOM 0 HH2 TRP B 21 41.713 -6.506 -2.393 1.00 0.00 H new ATOM 633 N TYR B 22 44.267 -1.175 -9.333 1.00 0.00 N ATOM 634 CA TYR B 22 45.120 -1.374 -10.498 1.00 0.00 C ATOM 635 C TYR B 22 46.513 -0.800 -10.248 1.00 0.00 C ATOM 636 O TYR B 22 47.502 -1.280 -10.805 1.00 0.00 O ATOM 637 CB TYR B 22 44.491 -0.705 -11.732 1.00 0.00 C ATOM 638 CG TYR B 22 43.387 -1.595 -12.282 1.00 0.00 C ATOM 639 CD1 TYR B 22 43.712 -2.813 -12.890 1.00 0.00 C ATOM 640 CD2 TYR B 22 42.043 -1.199 -12.179 1.00 0.00 C ATOM 641 CE1 TYR B 22 42.698 -3.637 -13.395 1.00 0.00 C ATOM 642 CE2 TYR B 22 41.030 -2.026 -12.684 1.00 0.00 C ATOM 643 CZ TYR B 22 41.358 -3.244 -13.292 1.00 0.00 C ATOM 644 OH TYR B 22 40.360 -4.058 -13.789 1.00 0.00 O ATOM 0 H TYR B 22 43.521 -0.492 -9.463 1.00 0.00 H new ATOM 0 HA TYR B 22 45.213 -2.445 -10.680 1.00 0.00 H new ATOM 0 HB2 TYR B 22 44.087 0.271 -11.464 1.00 0.00 H new ATOM 0 HB3 TYR B 22 45.251 -0.536 -12.495 1.00 0.00 H new ATOM 0 HD1 TYR B 22 44.745 -3.118 -12.970 1.00 0.00 H new ATOM 0 HD2 TYR B 22 41.791 -0.259 -11.711 1.00 0.00 H new ATOM 0 HE1 TYR B 22 42.950 -4.576 -13.864 1.00 0.00 H new ATOM 0 HE2 TYR B 22 39.996 -1.724 -12.604 1.00 0.00 H new ATOM 0 HH TYR B 22 39.488 -3.638 -13.635 1.00 0.00 H new ATOM 654 N GLY B 23 46.582 0.231 -9.406 1.00 0.00 N ATOM 655 CA GLY B 23 47.865 0.864 -9.087 1.00 0.00 C ATOM 656 C GLY B 23 48.576 0.118 -7.963 1.00 0.00 C ATOM 657 O GLY B 23 48.375 0.413 -6.784 1.00 0.00 O ATOM 0 H GLY B 23 45.776 0.643 -8.936 1.00 0.00 H new ATOM 0 HA2 GLY B 23 48.497 0.881 -9.975 1.00 0.00 H new ATOM 0 HA3 GLY B 23 47.700 1.901 -8.793 1.00 0.00 H new ATOM 661 N SER B 24 49.406 -0.848 -8.335 1.00 0.00 N ATOM 662 CA SER B 24 50.143 -1.630 -7.348 1.00 0.00 C ATOM 663 C SER B 24 50.980 -0.714 -6.460 1.00 0.00 C ATOM 664 O SER B 24 50.622 -0.556 -5.304 1.00 0.00 O ATOM 665 CB SER B 24 51.054 -2.634 -8.052 1.00 0.00 C ATOM 666 OG SER B 24 52.093 -3.034 -7.161 1.00 0.00 O ATOM 0 H SER B 24 49.586 -1.108 -9.305 1.00 0.00 H new ATOM 0 HA SER B 24 49.426 -2.167 -6.726 1.00 0.00 H new ATOM 0 HB2 SER B 24 50.479 -3.503 -8.371 1.00 0.00 H new ATOM 0 HB3 SER B 24 51.481 -2.187 -8.950 1.00 0.00 H new ATOM 0 HG SER B 24 52.678 -3.680 -7.610 1.00 0.00 H new TER 672 SER B 24 ATOM 673 N GLY C 1 3.607 -3.674 5.293 1.00 0.00 N ATOM 674 CA GLY C 1 3.059 -4.973 4.814 1.00 0.00 C ATOM 675 C GLY C 1 1.644 -4.768 4.311 1.00 0.00 C ATOM 676 O GLY C 1 1.365 -3.810 3.601 1.00 0.00 O ATOM 0 H1 GLY C 1 4.642 -3.674 5.189 1.00 0.00 H new ATOM 0 H2 GLY C 1 3.203 -2.898 4.730 1.00 0.00 H new ATOM 0 H3 GLY C 1 3.359 -3.541 6.294 1.00 0.00 H new ATOM 0 HA2 GLY C 1 3.686 -5.373 4.017 1.00 0.00 H new ATOM 0 HA3 GLY C 1 3.067 -5.704 5.623 1.00 0.00 H new ATOM 682 N LEU C 2 0.752 -5.676 4.677 1.00 0.00 N ATOM 683 CA LEU C 2 -0.634 -5.578 4.245 1.00 0.00 C ATOM 684 C LEU C 2 -1.225 -4.242 4.653 1.00 0.00 C ATOM 685 O LEU C 2 -1.729 -3.498 3.817 1.00 0.00 O ATOM 686 CB LEU C 2 -1.460 -6.727 4.860 1.00 0.00 C ATOM 687 CG LEU C 2 -2.949 -6.586 4.465 1.00 0.00 C ATOM 688 CD1 LEU C 2 -3.092 -6.683 2.942 1.00 0.00 C ATOM 689 CD2 LEU C 2 -3.754 -7.710 5.124 1.00 0.00 C ATOM 0 H LEU C 2 0.960 -6.482 5.267 1.00 0.00 H new ATOM 0 HA LEU C 2 -0.665 -5.656 3.158 1.00 0.00 H new ATOM 0 HB2 LEU C 2 -1.074 -7.687 4.516 1.00 0.00 H new ATOM 0 HB3 LEU C 2 -1.362 -6.715 5.945 1.00 0.00 H new ATOM 0 HG LEU C 2 -3.323 -5.619 4.800 1.00 0.00 H new ATOM 0 HD11 LEU C 2 -4.142 -6.583 2.668 1.00 0.00 H new ATOM 0 HD12 LEU C 2 -2.517 -5.886 2.471 1.00 0.00 H new ATOM 0 HD13 LEU C 2 -2.719 -7.649 2.602 1.00 0.00 H new ATOM 0 HD21 LEU C 2 -4.804 -7.615 4.849 1.00 0.00 H new ATOM 0 HD22 LEU C 2 -3.376 -8.675 4.786 1.00 0.00 H new ATOM 0 HD23 LEU C 2 -3.655 -7.641 6.207 1.00 0.00 H new ATOM 701 N PHE C 3 -1.164 -3.939 5.937 1.00 0.00 N ATOM 702 CA PHE C 3 -1.707 -2.680 6.434 1.00 0.00 C ATOM 703 C PHE C 3 -0.900 -1.495 5.909 1.00 0.00 C ATOM 704 O PHE C 3 -1.467 -0.508 5.435 1.00 0.00 O ATOM 705 CB PHE C 3 -1.694 -2.666 7.960 1.00 0.00 C ATOM 706 CG PHE C 3 -2.523 -3.822 8.484 1.00 0.00 C ATOM 707 CD1 PHE C 3 -3.917 -3.794 8.360 1.00 0.00 C ATOM 708 CD2 PHE C 3 -1.896 -4.919 9.096 1.00 0.00 C ATOM 709 CE1 PHE C 3 -4.685 -4.860 8.845 1.00 0.00 C ATOM 710 CE2 PHE C 3 -2.664 -5.983 9.580 1.00 0.00 C ATOM 711 CZ PHE C 3 -4.059 -5.953 9.455 1.00 0.00 C ATOM 0 H PHE C 3 -0.749 -4.538 6.651 1.00 0.00 H new ATOM 0 HA PHE C 3 -2.734 -2.592 6.078 1.00 0.00 H new ATOM 0 HB2 PHE C 3 -0.670 -2.744 8.326 1.00 0.00 H new ATOM 0 HB3 PHE C 3 -2.094 -1.721 8.329 1.00 0.00 H new ATOM 0 HD1 PHE C 3 -4.400 -2.950 7.890 1.00 0.00 H new ATOM 0 HD2 PHE C 3 -0.821 -4.941 9.193 1.00 0.00 H new ATOM 0 HE1 PHE C 3 -5.760 -4.839 8.748 1.00 0.00 H new ATOM 0 HE2 PHE C 3 -2.182 -6.827 10.050 1.00 0.00 H new ATOM 0 HZ PHE C 3 -4.652 -6.774 9.830 1.00 0.00 H new ATOM 721 N GLY C 4 0.423 -1.595 5.998 1.00 0.00 N ATOM 722 CA GLY C 4 1.295 -0.518 5.527 1.00 0.00 C ATOM 723 C GLY C 4 1.092 -0.263 4.031 1.00 0.00 C ATOM 724 O GLY C 4 1.094 0.881 3.581 1.00 0.00 O ATOM 0 H GLY C 4 0.913 -2.401 6.387 1.00 0.00 H new ATOM 0 HA2 GLY C 4 1.087 0.394 6.087 1.00 0.00 H new ATOM 0 HA3 GLY C 4 2.336 -0.779 5.717 1.00 0.00 H new ATOM 728 N ALA C 5 0.922 -1.341 3.274 1.00 0.00 N ATOM 729 CA ALA C 5 0.719 -1.239 1.832 1.00 0.00 C ATOM 730 C ALA C 5 -0.586 -0.541 1.515 1.00 0.00 C ATOM 731 O ALA C 5 -0.629 0.348 0.671 1.00 0.00 O ATOM 732 CB ALA C 5 0.706 -2.632 1.213 1.00 0.00 C ATOM 0 H ALA C 5 0.921 -2.295 3.634 1.00 0.00 H new ATOM 0 HA ALA C 5 1.539 -0.654 1.415 1.00 0.00 H new ATOM 0 HB1 ALA C 5 0.554 -2.550 0.137 1.00 0.00 H new ATOM 0 HB2 ALA C 5 1.658 -3.126 1.409 1.00 0.00 H new ATOM 0 HB3 ALA C 5 -0.103 -3.217 1.650 1.00 0.00 H new ATOM 738 N ILE C 6 -1.646 -0.942 2.192 1.00 0.00 N ATOM 739 CA ILE C 6 -2.950 -0.333 1.958 1.00 0.00 C ATOM 740 C ILE C 6 -2.871 1.168 2.190 1.00 0.00 C ATOM 741 O ILE C 6 -3.436 1.954 1.428 1.00 0.00 O ATOM 742 CB ILE C 6 -4.011 -0.954 2.886 1.00 0.00 C ATOM 743 CG1 ILE C 6 -4.289 -2.400 2.447 1.00 0.00 C ATOM 744 CG2 ILE C 6 -5.317 -0.133 2.806 1.00 0.00 C ATOM 745 CD1 ILE C 6 -5.081 -3.124 3.539 1.00 0.00 C ATOM 0 H ILE C 6 -1.636 -1.676 2.900 1.00 0.00 H new ATOM 0 HA ILE C 6 -3.241 -0.521 0.924 1.00 0.00 H new ATOM 0 HB ILE C 6 -3.643 -0.947 3.912 1.00 0.00 H new ATOM 0 HG12 ILE C 6 -4.850 -2.406 1.512 1.00 0.00 H new ATOM 0 HG13 ILE C 6 -3.350 -2.921 2.259 1.00 0.00 H new ATOM 0 HG21 ILE C 6 -6.065 -0.575 3.464 1.00 0.00 H new ATOM 0 HG22 ILE C 6 -5.121 0.893 3.117 1.00 0.00 H new ATOM 0 HG23 ILE C 6 -5.687 -0.137 1.781 1.00 0.00 H new ATOM 0 HD11 ILE C 6 -5.278 -4.150 3.227 1.00 0.00 H new ATOM 0 HD12 ILE C 6 -4.504 -3.131 4.463 1.00 0.00 H new ATOM 0 HD13 ILE C 6 -6.026 -2.608 3.706 1.00 0.00 H new ATOM 757 N ALA C 7 -2.165 1.561 3.235 1.00 0.00 N ATOM 758 CA ALA C 7 -2.014 2.978 3.550 1.00 0.00 C ATOM 759 C ALA C 7 -1.206 3.685 2.449 1.00 0.00 C ATOM 760 O ALA C 7 -1.612 4.737 1.948 1.00 0.00 O ATOM 761 CB ALA C 7 -1.311 3.147 4.914 1.00 0.00 C ATOM 0 H ALA C 7 -1.689 0.928 3.878 1.00 0.00 H new ATOM 0 HA ALA C 7 -3.004 3.431 3.604 1.00 0.00 H new ATOM 0 HB1 ALA C 7 -1.204 4.208 5.139 1.00 0.00 H new ATOM 0 HB2 ALA C 7 -1.907 2.670 5.692 1.00 0.00 H new ATOM 0 HB3 ALA C 7 -0.326 2.683 4.875 1.00 0.00 H new ATOM 767 N ALA C 8 -0.073 3.106 2.077 1.00 0.00 N ATOM 768 CA ALA C 8 0.759 3.697 1.041 1.00 0.00 C ATOM 769 C ALA C 8 0.060 3.621 -0.316 1.00 0.00 C ATOM 770 O ALA C 8 0.368 4.387 -1.227 1.00 0.00 O ATOM 771 CB ALA C 8 2.085 2.973 0.967 1.00 0.00 C ATOM 0 H ALA C 8 0.287 2.238 2.472 1.00 0.00 H new ATOM 0 HA ALA C 8 0.930 4.744 1.292 1.00 0.00 H new ATOM 0 HB1 ALA C 8 2.702 3.422 0.189 1.00 0.00 H new ATOM 0 HB2 ALA C 8 2.597 3.052 1.926 1.00 0.00 H new ATOM 0 HB3 ALA C 8 1.913 1.922 0.733 1.00 0.00 H new ATOM 777 N PHE C 9 -0.882 2.683 -0.440 1.00 0.00 N ATOM 778 CA PHE C 9 -1.625 2.508 -1.699 1.00 0.00 C ATOM 779 C PHE C 9 -2.538 3.712 -1.967 1.00 0.00 C ATOM 780 O PHE C 9 -2.574 4.239 -3.079 1.00 0.00 O ATOM 781 CB PHE C 9 -2.475 1.229 -1.633 1.00 0.00 C ATOM 782 CG PHE C 9 -2.881 0.818 -3.024 1.00 0.00 C ATOM 783 CD1 PHE C 9 -1.951 0.200 -3.864 1.00 0.00 C ATOM 784 CD2 PHE C 9 -4.189 1.048 -3.474 1.00 0.00 C ATOM 785 CE1 PHE C 9 -2.323 -0.190 -5.151 1.00 0.00 C ATOM 786 CE2 PHE C 9 -4.562 0.660 -4.762 1.00 0.00 C ATOM 787 CZ PHE C 9 -3.629 0.039 -5.603 1.00 0.00 C ATOM 0 H PHE C 9 -1.149 2.038 0.304 1.00 0.00 H new ATOM 0 HA PHE C 9 -0.903 2.428 -2.511 1.00 0.00 H new ATOM 0 HB2 PHE C 9 -1.909 0.428 -1.157 1.00 0.00 H new ATOM 0 HB3 PHE C 9 -3.360 1.400 -1.021 1.00 0.00 H new ATOM 0 HD1 PHE C 9 -0.944 0.024 -3.517 1.00 0.00 H new ATOM 0 HD2 PHE C 9 -4.908 1.525 -2.824 1.00 0.00 H new ATOM 0 HE1 PHE C 9 -1.604 -0.669 -5.799 1.00 0.00 H new ATOM 0 HE2 PHE C 9 -5.569 0.838 -5.110 1.00 0.00 H new ATOM 0 HZ PHE C 9 -3.917 -0.263 -6.599 1.00 0.00 H new ATOM 797 N ILE C 10 -3.269 4.140 -0.935 1.00 0.00 N ATOM 798 CA ILE C 10 -4.174 5.283 -1.070 1.00 0.00 C ATOM 799 C ILE C 10 -3.388 6.589 -1.118 1.00 0.00 C ATOM 800 O ILE C 10 -3.639 7.446 -1.963 1.00 0.00 O ATOM 801 CB ILE C 10 -5.161 5.314 0.102 1.00 0.00 C ATOM 802 CG1 ILE C 10 -5.874 3.958 0.197 1.00 0.00 C ATOM 803 CG2 ILE C 10 -6.203 6.421 -0.129 1.00 0.00 C ATOM 804 CD1 ILE C 10 -6.838 3.969 1.379 1.00 0.00 C ATOM 0 H ILE C 10 -3.253 3.718 -0.007 1.00 0.00 H new ATOM 0 HA ILE C 10 -4.727 5.175 -2.003 1.00 0.00 H new ATOM 0 HB ILE C 10 -4.621 5.513 1.027 1.00 0.00 H new ATOM 0 HG12 ILE C 10 -6.417 3.756 -0.726 1.00 0.00 H new ATOM 0 HG13 ILE C 10 -5.143 3.159 0.318 1.00 0.00 H new ATOM 0 HG21 ILE C 10 -6.904 6.441 0.706 1.00 0.00 H new ATOM 0 HG22 ILE C 10 -5.699 7.385 -0.203 1.00 0.00 H new ATOM 0 HG23 ILE C 10 -6.745 6.223 -1.053 1.00 0.00 H new ATOM 0 HD11 ILE C 10 -7.344 3.006 1.445 1.00 0.00 H new ATOM 0 HD12 ILE C 10 -6.283 4.152 2.299 1.00 0.00 H new ATOM 0 HD13 ILE C 10 -7.577 4.758 1.238 1.00 0.00 H new ATOM 816 N GLU C 11 -2.435 6.735 -0.198 1.00 0.00 N ATOM 817 CA GLU C 11 -1.620 7.946 -0.142 1.00 0.00 C ATOM 818 C GLU C 11 -0.939 8.200 -1.493 1.00 0.00 C ATOM 819 O GLU C 11 -0.514 9.318 -1.782 1.00 0.00 O ATOM 820 CB GLU C 11 -0.549 7.813 0.978 1.00 0.00 C ATOM 821 CG GLU C 11 -1.064 8.478 2.267 1.00 0.00 C ATOM 822 CD GLU C 11 -2.382 7.841 2.691 1.00 0.00 C ATOM 823 OE1 GLU C 11 -2.343 6.755 3.240 1.00 0.00 O ATOM 824 OE2 GLU C 11 -3.413 8.450 2.461 1.00 0.00 O ATOM 0 H GLU C 11 -2.210 6.037 0.511 1.00 0.00 H new ATOM 0 HA GLU C 11 -2.269 8.792 0.083 1.00 0.00 H new ATOM 0 HB2 GLU C 11 -0.330 6.761 1.162 1.00 0.00 H new ATOM 0 HB3 GLU C 11 0.383 8.282 0.662 1.00 0.00 H new ATOM 0 HG2 GLU C 11 -0.326 8.370 3.062 1.00 0.00 H new ATOM 0 HG3 GLU C 11 -1.203 9.547 2.104 1.00 0.00 H new ATOM 831 N GLY C 12 -0.843 7.155 -2.313 1.00 0.00 N ATOM 832 CA GLY C 12 -0.218 7.281 -3.628 1.00 0.00 C ATOM 833 C GLY C 12 -1.116 8.065 -4.580 1.00 0.00 C ATOM 834 O GLY C 12 -0.859 8.131 -5.783 1.00 0.00 O ATOM 0 H GLY C 12 -1.186 6.220 -2.093 1.00 0.00 H new ATOM 0 HA2 GLY C 12 0.745 7.783 -3.532 1.00 0.00 H new ATOM 0 HA3 GLY C 12 -0.021 6.291 -4.039 1.00 0.00 H new ATOM 838 N GLY C 13 -2.175 8.655 -4.032 1.00 0.00 N ATOM 839 CA GLY C 13 -3.115 9.435 -4.838 1.00 0.00 C ATOM 840 C GLY C 13 -3.797 8.555 -5.881 1.00 0.00 C ATOM 841 O GLY C 13 -3.160 7.701 -6.506 1.00 0.00 O ATOM 0 H GLY C 13 -2.405 8.610 -3.039 1.00 0.00 H new ATOM 0 HA2 GLY C 13 -3.866 9.888 -4.191 1.00 0.00 H new ATOM 0 HA3 GLY C 13 -2.587 10.250 -5.333 1.00 0.00 H new ATOM 845 N TRP C 14 -5.099 8.769 -6.056 1.00 0.00 N ATOM 846 CA TRP C 14 -5.880 7.995 -7.015 1.00 0.00 C ATOM 847 C TRP C 14 -5.414 8.278 -8.449 1.00 0.00 C ATOM 848 O TRP C 14 -5.222 7.359 -9.240 1.00 0.00 O ATOM 849 CB TRP C 14 -7.360 8.354 -6.871 1.00 0.00 C ATOM 850 CG TRP C 14 -8.136 7.782 -8.018 1.00 0.00 C ATOM 851 CD1 TRP C 14 -8.353 8.415 -9.193 1.00 0.00 C ATOM 852 CD2 TRP C 14 -8.797 6.486 -8.121 1.00 0.00 C ATOM 853 NE1 TRP C 14 -9.103 7.589 -10.012 1.00 0.00 N ATOM 854 CE2 TRP C 14 -9.402 6.387 -9.391 1.00 0.00 C ATOM 855 CE3 TRP C 14 -8.928 5.393 -7.238 1.00 0.00 C ATOM 856 CZ2 TRP C 14 -10.109 5.257 -9.780 1.00 0.00 C ATOM 857 CZ3 TRP C 14 -9.648 4.244 -7.633 1.00 0.00 C ATOM 858 CH2 TRP C 14 -10.233 4.182 -8.902 1.00 0.00 C ATOM 0 H TRP C 14 -5.634 9.472 -5.546 1.00 0.00 H new ATOM 0 HA TRP C 14 -5.736 6.934 -6.810 1.00 0.00 H new ATOM 0 HB2 TRP C 14 -7.747 7.966 -5.929 1.00 0.00 H new ATOM 0 HB3 TRP C 14 -7.480 9.437 -6.843 1.00 0.00 H new ATOM 0 HD1 TRP C 14 -7.999 9.403 -9.450 1.00 0.00 H new ATOM 0 HE1 TRP C 14 -9.399 7.835 -10.957 1.00 0.00 H new ATOM 0 HE3 TRP C 14 -8.477 5.435 -6.258 1.00 0.00 H new ATOM 0 HZ2 TRP C 14 -10.561 5.211 -10.760 1.00 0.00 H new ATOM 0 HZ3 TRP C 14 -9.747 3.411 -6.953 1.00 0.00 H new ATOM 0 HH2 TRP C 14 -10.781 3.301 -9.201 1.00 0.00 H new ATOM 869 N THR C 15 -5.244 9.563 -8.768 1.00 0.00 N ATOM 870 CA THR C 15 -4.810 9.960 -10.108 1.00 0.00 C ATOM 871 C THR C 15 -3.376 9.511 -10.362 1.00 0.00 C ATOM 872 O THR C 15 -3.029 9.107 -11.471 1.00 0.00 O ATOM 873 CB THR C 15 -4.912 11.478 -10.263 1.00 0.00 C ATOM 874 OG1 THR C 15 -6.190 11.910 -9.823 1.00 0.00 O ATOM 875 CG2 THR C 15 -4.718 11.864 -11.739 1.00 0.00 C ATOM 0 H THR C 15 -5.398 10.339 -8.124 1.00 0.00 H new ATOM 0 HA THR C 15 -5.461 9.479 -10.838 1.00 0.00 H new ATOM 0 HB THR C 15 -4.138 11.956 -9.663 1.00 0.00 H new ATOM 0 HG1 THR C 15 -6.258 12.883 -9.920 1.00 0.00 H new ATOM 0 HG21 THR C 15 -4.791 12.946 -11.845 1.00 0.00 H new ATOM 0 HG22 THR C 15 -3.736 11.532 -12.076 1.00 0.00 H new ATOM 0 HG23 THR C 15 -5.489 11.387 -12.344 1.00 0.00 H new ATOM 883 N GLY C 16 -2.543 9.590 -9.322 1.00 0.00 N ATOM 884 CA GLY C 16 -1.144 9.192 -9.441 1.00 0.00 C ATOM 885 C GLY C 16 -1.023 7.691 -9.673 1.00 0.00 C ATOM 886 O GLY C 16 -0.161 7.239 -10.427 1.00 0.00 O ATOM 0 H GLY C 16 -2.812 9.923 -8.396 1.00 0.00 H new ATOM 0 HA2 GLY C 16 -0.678 9.730 -10.266 1.00 0.00 H new ATOM 0 HA3 GLY C 16 -0.605 9.469 -8.535 1.00 0.00 H new ATOM 890 N MET C 17 -1.891 6.922 -9.013 1.00 0.00 N ATOM 891 CA MET C 17 -1.870 5.471 -9.146 1.00 0.00 C ATOM 892 C MET C 17 -2.103 5.047 -10.599 1.00 0.00 C ATOM 893 O MET C 17 -1.325 4.273 -11.159 1.00 0.00 O ATOM 894 CB MET C 17 -2.952 4.850 -8.251 1.00 0.00 C ATOM 895 CG MET C 17 -2.903 3.332 -8.372 1.00 0.00 C ATOM 896 SD MET C 17 -3.974 2.586 -7.115 1.00 0.00 S ATOM 897 CE MET C 17 -5.556 2.871 -7.952 1.00 0.00 C ATOM 0 H MET C 17 -2.611 7.280 -8.386 1.00 0.00 H new ATOM 0 HA MET C 17 -0.887 5.116 -8.836 1.00 0.00 H new ATOM 0 HB2 MET C 17 -2.796 5.148 -7.214 1.00 0.00 H new ATOM 0 HB3 MET C 17 -3.936 5.217 -8.544 1.00 0.00 H new ATOM 0 HG2 MET C 17 -3.226 3.026 -9.367 1.00 0.00 H new ATOM 0 HG3 MET C 17 -1.879 2.980 -8.247 1.00 0.00 H new ATOM 0 HE1 MET C 17 -6.213 3.448 -7.301 1.00 0.00 H new ATOM 0 HE2 MET C 17 -5.384 3.423 -8.876 1.00 0.00 H new ATOM 0 HE3 MET C 17 -6.023 1.914 -8.183 1.00 0.00 H new ATOM 907 N ILE C 18 -3.168 5.549 -11.201 1.00 0.00 N ATOM 908 CA ILE C 18 -3.476 5.202 -12.580 1.00 0.00 C ATOM 909 C ILE C 18 -2.355 5.663 -13.509 1.00 0.00 C ATOM 910 O ILE C 18 -1.939 4.932 -14.413 1.00 0.00 O ATOM 911 CB ILE C 18 -4.793 5.847 -12.998 1.00 0.00 C ATOM 912 CG1 ILE C 18 -5.897 5.440 -12.002 1.00 0.00 C ATOM 913 CG2 ILE C 18 -5.176 5.365 -14.405 1.00 0.00 C ATOM 914 CD1 ILE C 18 -7.187 6.147 -12.359 1.00 0.00 C ATOM 0 H ILE C 18 -3.828 6.191 -10.763 1.00 0.00 H new ATOM 0 HA ILE C 18 -3.568 4.118 -12.654 1.00 0.00 H new ATOM 0 HB ILE C 18 -4.683 6.931 -13.002 1.00 0.00 H new ATOM 0 HG12 ILE C 18 -6.043 4.360 -12.027 1.00 0.00 H new ATOM 0 HG13 ILE C 18 -5.598 5.698 -10.986 1.00 0.00 H new ATOM 0 HG21 ILE C 18 -6.117 5.826 -14.704 1.00 0.00 H new ATOM 0 HG22 ILE C 18 -4.394 5.646 -15.111 1.00 0.00 H new ATOM 0 HG23 ILE C 18 -5.288 4.281 -14.400 1.00 0.00 H new ATOM 0 HD11 ILE C 18 -7.967 5.859 -11.654 1.00 0.00 H new ATOM 0 HD12 ILE C 18 -7.036 7.225 -12.312 1.00 0.00 H new ATOM 0 HD13 ILE C 18 -7.488 5.867 -13.368 1.00 0.00 H new ATOM 926 N ASP C 19 -1.867 6.875 -13.277 1.00 0.00 N ATOM 927 CA ASP C 19 -0.793 7.426 -14.090 1.00 0.00 C ATOM 928 C ASP C 19 0.461 6.562 -13.989 1.00 0.00 C ATOM 929 O ASP C 19 1.084 6.241 -14.998 1.00 0.00 O ATOM 930 CB ASP C 19 -0.465 8.846 -13.625 1.00 0.00 C ATOM 931 CG ASP C 19 0.450 9.528 -14.637 1.00 0.00 C ATOM 932 OD1 ASP C 19 1.172 8.823 -15.324 1.00 0.00 O ATOM 933 OD2 ASP C 19 0.415 10.745 -14.712 1.00 0.00 O ATOM 0 H ASP C 19 -2.197 7.492 -12.535 1.00 0.00 H new ATOM 0 HA ASP C 19 -1.126 7.444 -15.128 1.00 0.00 H new ATOM 0 HB2 ASP C 19 -1.384 9.421 -13.508 1.00 0.00 H new ATOM 0 HB3 ASP C 19 0.018 8.815 -12.648 1.00 0.00 H new ATOM 938 N GLY C 20 0.833 6.196 -12.763 1.00 0.00 N ATOM 939 CA GLY C 20 2.019 5.378 -12.556 1.00 0.00 C ATOM 940 C GLY C 20 1.837 3.996 -13.157 1.00 0.00 C ATOM 941 O GLY C 20 2.812 3.326 -13.503 1.00 0.00 O ATOM 0 H GLY C 20 0.335 6.451 -11.910 1.00 0.00 H new ATOM 0 HA2 GLY C 20 2.884 5.864 -13.007 1.00 0.00 H new ATOM 0 HA3 GLY C 20 2.223 5.291 -11.489 1.00 0.00 H new ATOM 945 N TRP C 21 0.583 3.569 -13.286 1.00 0.00 N ATOM 946 CA TRP C 21 0.290 2.261 -13.855 1.00 0.00 C ATOM 947 C TRP C 21 0.713 2.210 -15.334 1.00 0.00 C ATOM 948 O TRP C 21 1.510 1.364 -15.737 1.00 0.00 O ATOM 949 CB TRP C 21 -1.217 1.975 -13.744 1.00 0.00 C ATOM 950 CG TRP C 21 -1.440 0.495 -13.577 1.00 0.00 C ATOM 951 CD1 TRP C 21 -0.674 -0.475 -14.131 1.00 0.00 C ATOM 952 CD2 TRP C 21 -2.476 -0.186 -12.819 1.00 0.00 C ATOM 953 NE1 TRP C 21 -1.177 -1.706 -13.758 1.00 0.00 N ATOM 954 CE2 TRP C 21 -2.289 -1.579 -12.948 1.00 0.00 C ATOM 955 CE3 TRP C 21 -3.556 0.270 -12.035 1.00 0.00 C ATOM 956 CZ2 TRP C 21 -3.133 -2.492 -12.328 1.00 0.00 C ATOM 957 CZ3 TRP C 21 -4.415 -0.657 -11.405 1.00 0.00 C ATOM 958 CH2 TRP C 21 -4.197 -2.035 -11.555 1.00 0.00 C ATOM 0 H TRP C 21 -0.238 4.106 -13.006 1.00 0.00 H new ATOM 0 HA TRP C 21 0.850 1.507 -13.302 1.00 0.00 H new ATOM 0 HB2 TRP C 21 -1.638 2.514 -12.896 1.00 0.00 H new ATOM 0 HB3 TRP C 21 -1.732 2.332 -14.636 1.00 0.00 H new ATOM 0 HD1 TRP C 21 0.188 -0.313 -14.761 1.00 0.00 H new ATOM 0 HE1 TRP C 21 -0.777 -2.599 -14.045 1.00 0.00 H new ATOM 0 HE3 TRP C 21 -3.726 1.330 -11.916 1.00 0.00 H new ATOM 0 HZ2 TRP C 21 -2.964 -3.552 -12.445 1.00 0.00 H new ATOM 0 HZ3 TRP C 21 -5.242 -0.304 -10.806 1.00 0.00 H new ATOM 0 HH2 TRP C 21 -4.855 -2.741 -11.071 1.00 0.00 H new ATOM 969 N TYR C 22 0.162 3.136 -16.132 1.00 0.00 N ATOM 970 CA TYR C 22 0.479 3.203 -17.561 1.00 0.00 C ATOM 971 C TYR C 22 1.944 3.573 -17.759 1.00 0.00 C ATOM 972 O TYR C 22 2.583 3.133 -18.712 1.00 0.00 O ATOM 973 CB TYR C 22 -0.421 4.248 -18.253 1.00 0.00 C ATOM 974 CG TYR C 22 -1.784 3.642 -18.537 1.00 0.00 C ATOM 975 CD1 TYR C 22 -2.798 3.703 -17.570 1.00 0.00 C ATOM 976 CD2 TYR C 22 -2.031 3.021 -19.770 1.00 0.00 C ATOM 977 CE1 TYR C 22 -4.056 3.141 -17.836 1.00 0.00 C ATOM 978 CE2 TYR C 22 -3.287 2.462 -20.035 1.00 0.00 C ATOM 979 CZ TYR C 22 -4.299 2.522 -19.067 1.00 0.00 C ATOM 980 OH TYR C 22 -5.536 1.969 -19.329 1.00 0.00 O ATOM 0 H TYR C 22 -0.500 3.843 -15.813 1.00 0.00 H new ATOM 0 HA TYR C 22 0.298 2.224 -18.005 1.00 0.00 H new ATOM 0 HB2 TYR C 22 -0.528 5.127 -17.618 1.00 0.00 H new ATOM 0 HB3 TYR C 22 0.040 4.581 -19.183 1.00 0.00 H new ATOM 0 HD1 TYR C 22 -2.611 4.183 -16.621 1.00 0.00 H new ATOM 0 HD2 TYR C 22 -1.251 2.974 -20.516 1.00 0.00 H new ATOM 0 HE1 TYR C 22 -4.836 3.186 -17.091 1.00 0.00 H new ATOM 0 HE2 TYR C 22 -3.476 1.985 -20.985 1.00 0.00 H new ATOM 0 HH TYR C 22 -5.537 1.581 -20.229 1.00 0.00 H new ATOM 990 N GLY C 23 2.468 4.383 -16.848 1.00 0.00 N ATOM 991 CA GLY C 23 3.859 4.807 -16.927 1.00 0.00 C ATOM 992 C GLY C 23 4.796 3.612 -16.781 1.00 0.00 C ATOM 993 O GLY C 23 5.159 3.228 -15.669 1.00 0.00 O ATOM 0 H GLY C 23 1.954 4.757 -16.050 1.00 0.00 H new ATOM 0 HA2 GLY C 23 4.040 5.303 -17.881 1.00 0.00 H new ATOM 0 HA3 GLY C 23 4.067 5.536 -16.144 1.00 0.00 H new ATOM 997 N SER C 24 5.182 3.027 -17.911 1.00 0.00 N ATOM 998 CA SER C 24 6.078 1.874 -17.898 1.00 0.00 C ATOM 999 C SER C 24 7.384 2.217 -17.186 1.00 0.00 C ATOM 1000 O SER C 24 7.383 2.237 -15.966 1.00 0.00 O ATOM 1001 CB SER C 24 6.376 1.429 -19.326 1.00 0.00 C ATOM 1002 OG SER C 24 7.180 0.251 -19.294 1.00 0.00 O ATOM 0 H SER C 24 4.891 3.329 -18.841 1.00 0.00 H new ATOM 0 HA SER C 24 5.587 1.063 -17.360 1.00 0.00 H new ATOM 0 HB2 SER C 24 5.446 1.234 -19.860 1.00 0.00 H new ATOM 0 HB3 SER C 24 6.894 2.222 -19.866 1.00 0.00 H new ATOM 0 HG SER C 24 7.372 -0.039 -20.210 1.00 0.00 H new TER 1008 SER C 24