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= 0.0142 USER MOD Single : A 17 MET CE :methyl 152:sc= -0.217 (180deg=-1.37!) 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+ -114:sc= 0.0565 (180deg=0) USER MOD Single : B 15 THR OG1 : rot -36:sc= -0.975 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+ 180:sc= 0 (180deg=0) USER MOD Single : C 15 THR OG1 : rot -11:sc= -0.226! USER MOD Single : C 17 MET CE :methyl 143:sc= -0.222 (180deg=-1.25) 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 18.308 -3.724 7.236 1.00 0.00 N ATOM 2 CA GLY A 1 18.493 -4.500 5.972 1.00 0.00 C ATOM 3 C GLY A 1 17.177 -4.556 5.219 1.00 0.00 C ATOM 4 O GLY A 1 16.975 -3.825 4.248 1.00 0.00 O ATOM 0 H1 GLY A 1 19.209 -3.684 7.754 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.997 -2.758 7.008 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.589 -4.189 7.827 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.259 -4.032 5.354 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.838 -5.509 6.199 1.00 0.00 H new ATOM 10 N LEU A 2 16.279 -5.423 5.671 1.00 0.00 N ATOM 11 CA LEU A 2 14.977 -5.561 5.032 1.00 0.00 C ATOM 12 C LEU A 2 14.215 -4.239 5.097 1.00 0.00 C ATOM 13 O LEU A 2 13.766 -3.717 4.072 1.00 0.00 O ATOM 14 CB LEU A 2 14.162 -6.670 5.735 1.00 0.00 C ATOM 15 CG LEU A 2 12.766 -6.809 5.075 1.00 0.00 C ATOM 16 CD1 LEU A 2 12.905 -7.459 3.689 1.00 0.00 C ATOM 17 CD2 LEU A 2 11.871 -7.688 5.960 1.00 0.00 C ATOM 0 H LEU A 2 16.427 -6.037 6.472 1.00 0.00 H new ATOM 0 HA LEU A 2 15.125 -5.832 3.987 1.00 0.00 H new ATOM 0 HB2 LEU A 2 14.697 -7.618 5.675 1.00 0.00 H new ATOM 0 HB3 LEU A 2 14.050 -6.434 6.793 1.00 0.00 H new ATOM 0 HG LEU A 2 12.321 -5.820 4.965 1.00 0.00 H new ATOM 0 HD11 LEU A 2 11.920 -7.554 3.231 1.00 0.00 H new ATOM 0 HD12 LEU A 2 13.541 -6.838 3.058 1.00 0.00 H new ATOM 0 HD13 LEU A 2 13.353 -8.447 3.794 1.00 0.00 H new ATOM 0 HD21 LEU A 2 10.889 -7.788 5.499 1.00 0.00 H new ATOM 0 HD22 LEU A 2 12.323 -8.674 6.069 1.00 0.00 H new ATOM 0 HD23 LEU A 2 11.766 -7.227 6.942 1.00 0.00 H new ATOM 29 N PHE A 3 14.073 -3.702 6.300 1.00 0.00 N ATOM 30 CA PHE A 3 13.367 -2.441 6.478 1.00 0.00 C ATOM 31 C PHE A 3 14.145 -1.304 5.822 1.00 0.00 C ATOM 32 O PHE A 3 13.555 -0.420 5.200 1.00 0.00 O ATOM 33 CB PHE A 3 13.174 -2.147 7.965 1.00 0.00 C ATOM 34 CG PHE A 3 12.239 -3.170 8.568 1.00 0.00 C ATOM 35 CD1 PHE A 3 10.857 -2.958 8.536 1.00 0.00 C ATOM 36 CD2 PHE A 3 12.756 -4.329 9.162 1.00 0.00 C ATOM 37 CE1 PHE A 3 9.990 -3.905 9.096 1.00 0.00 C ATOM 38 CE2 PHE A 3 11.891 -5.275 9.722 1.00 0.00 C ATOM 39 CZ PHE A 3 10.508 -5.064 9.689 1.00 0.00 C ATOM 0 H PHE A 3 14.433 -4.115 7.160 1.00 0.00 H new ATOM 0 HA PHE A 3 12.389 -2.522 6.004 1.00 0.00 H new ATOM 0 HB2 PHE A 3 14.135 -2.171 8.478 1.00 0.00 H new ATOM 0 HB3 PHE A 3 12.767 -1.145 8.098 1.00 0.00 H new ATOM 0 HD1 PHE A 3 10.458 -2.064 8.080 1.00 0.00 H new ATOM 0 HD2 PHE A 3 13.823 -4.492 9.187 1.00 0.00 H new ATOM 0 HE1 PHE A 3 8.923 -3.742 9.071 1.00 0.00 H new ATOM 0 HE2 PHE A 3 12.290 -6.168 10.180 1.00 0.00 H new ATOM 0 HZ PHE A 3 9.840 -5.795 10.121 1.00 0.00 H new ATOM 49 N GLY A 4 15.463 -1.331 5.963 1.00 0.00 N ATOM 50 CA GLY A 4 16.299 -0.295 5.373 1.00 0.00 C ATOM 51 C GLY A 4 16.079 -0.210 3.868 1.00 0.00 C ATOM 52 O GLY A 4 16.070 0.878 3.292 1.00 0.00 O ATOM 0 H GLY A 4 15.972 -2.051 6.475 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.072 0.667 5.833 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.348 -0.507 5.580 1.00 0.00 H new ATOM 56 N ALA A 5 15.902 -1.368 3.235 1.00 0.00 N ATOM 57 CA ALA A 5 15.685 -1.419 1.793 1.00 0.00 C ATOM 58 C ALA A 5 14.368 -0.754 1.421 1.00 0.00 C ATOM 59 O ALA A 5 14.292 -0.008 0.444 1.00 0.00 O ATOM 60 CB ALA A 5 15.673 -2.874 1.321 1.00 0.00 C ATOM 0 H ALA A 5 15.905 -2.278 3.696 1.00 0.00 H new ATOM 0 HA ALA A 5 16.498 -0.881 1.305 1.00 0.00 H new ATOM 0 HB1 ALA A 5 15.511 -2.906 0.244 1.00 0.00 H new ATOM 0 HB2 ALA A 5 16.629 -3.341 1.558 1.00 0.00 H new ATOM 0 HB3 ALA A 5 14.871 -3.413 1.825 1.00 0.00 H new ATOM 66 N ILE A 6 13.333 -1.028 2.200 1.00 0.00 N ATOM 67 CA ILE A 6 12.018 -0.447 1.934 1.00 0.00 C ATOM 68 C ILE A 6 12.052 1.070 2.140 1.00 0.00 C ATOM 69 O ILE A 6 11.531 1.832 1.324 1.00 0.00 O ATOM 70 CB ILE A 6 10.972 -1.068 2.868 1.00 0.00 C ATOM 71 CG1 ILE A 6 10.843 -2.574 2.556 1.00 0.00 C ATOM 72 CG2 ILE A 6 9.592 -0.371 2.652 1.00 0.00 C ATOM 73 CD1 ILE A 6 10.011 -3.251 3.644 1.00 0.00 C ATOM 0 H ILE A 6 13.372 -1.642 3.014 1.00 0.00 H new ATOM 0 HA ILE A 6 11.750 -0.658 0.899 1.00 0.00 H new ATOM 0 HB ILE A 6 11.283 -0.932 3.904 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.373 -2.716 1.583 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.831 -3.031 2.502 1.00 0.00 H new ATOM 0 HG21 ILE A 6 8.852 -0.815 3.318 1.00 0.00 H new ATOM 0 HG22 ILE A 6 9.684 0.693 2.870 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.275 -0.503 1.617 1.00 0.00 H new ATOM 0 HD11 ILE A 6 9.920 -4.315 3.424 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.500 -3.121 4.610 1.00 0.00 H new ATOM 0 HD13 ILE A 6 9.019 -2.801 3.676 1.00 0.00 H new ATOM 85 N ALA A 7 12.670 1.496 3.234 1.00 0.00 N ATOM 86 CA ALA A 7 12.769 2.920 3.543 1.00 0.00 C ATOM 87 C ALA A 7 13.642 3.633 2.506 1.00 0.00 C ATOM 88 O ALA A 7 13.304 4.721 2.031 1.00 0.00 O ATOM 89 CB ALA A 7 13.374 3.108 4.961 1.00 0.00 C ATOM 0 H ALA A 7 13.109 0.881 3.920 1.00 0.00 H new ATOM 0 HA ALA A 7 11.770 3.355 3.516 1.00 0.00 H new ATOM 0 HB1 ALA A 7 13.446 4.172 5.188 1.00 0.00 H new ATOM 0 HB2 ALA A 7 12.733 2.623 5.697 1.00 0.00 H new ATOM 0 HB3 ALA A 7 14.368 2.662 4.995 1.00 0.00 H new ATOM 95 N ALA A 8 14.755 3.013 2.165 1.00 0.00 N ATOM 96 CA ALA A 8 15.664 3.585 1.196 1.00 0.00 C ATOM 97 C ALA A 8 15.041 3.570 -0.195 1.00 0.00 C ATOM 98 O ALA A 8 15.373 4.400 -1.039 1.00 0.00 O ATOM 99 CB ALA A 8 16.965 2.802 1.182 1.00 0.00 C ATOM 0 H ALA A 8 15.050 2.114 2.545 1.00 0.00 H new ATOM 0 HA ALA A 8 15.866 4.618 1.479 1.00 0.00 H new ATOM 0 HB1 ALA A 8 17.644 3.238 0.450 1.00 0.00 H new ATOM 0 HB2 ALA A 8 17.423 2.840 2.170 1.00 0.00 H new ATOM 0 HB3 ALA A 8 16.762 1.765 0.916 1.00 0.00 H new ATOM 105 N PHE A 9 14.130 2.624 -0.427 1.00 0.00 N ATOM 106 CA PHE A 9 13.466 2.522 -1.716 1.00 0.00 C ATOM 107 C PHE A 9 12.582 3.746 -1.959 1.00 0.00 C ATOM 108 O PHE A 9 12.531 4.274 -3.054 1.00 0.00 O ATOM 109 CB PHE A 9 12.612 1.243 -1.770 1.00 0.00 C ATOM 110 CG PHE A 9 11.737 1.264 -3.013 1.00 0.00 C ATOM 111 CD1 PHE A 9 12.211 0.729 -4.217 1.00 0.00 C ATOM 112 CD2 PHE A 9 10.457 1.822 -2.954 1.00 0.00 C ATOM 113 CE1 PHE A 9 11.404 0.754 -5.358 1.00 0.00 C ATOM 114 CE2 PHE A 9 9.651 1.846 -4.095 1.00 0.00 C ATOM 115 CZ PHE A 9 10.124 1.311 -5.297 1.00 0.00 C ATOM 0 H PHE A 9 13.841 1.926 0.258 1.00 0.00 H new ATOM 0 HA PHE A 9 14.227 2.478 -2.495 1.00 0.00 H new ATOM 0 HB2 PHE A 9 13.256 0.364 -1.782 1.00 0.00 H new ATOM 0 HB3 PHE A 9 11.991 1.171 -0.877 1.00 0.00 H new ATOM 0 HD1 PHE A 9 13.200 0.297 -4.264 1.00 0.00 H new ATOM 0 HD2 PHE A 9 10.091 2.235 -2.026 1.00 0.00 H new ATOM 0 HE1 PHE A 9 11.770 0.343 -6.287 1.00 0.00 H new ATOM 0 HE2 PHE A 9 8.662 2.278 -4.048 1.00 0.00 H new ATOM 0 HZ PHE A 9 9.500 1.328 -6.178 1.00 0.00 H new ATOM 125 N ILE A 10 11.895 4.173 -0.928 1.00 0.00 N ATOM 126 CA ILE A 10 11.013 5.331 -1.030 1.00 0.00 C ATOM 127 C ILE A 10 11.814 6.634 -1.093 1.00 0.00 C ATOM 128 O ILE A 10 11.332 7.636 -1.621 1.00 0.00 O ATOM 129 CB ILE A 10 10.073 5.371 0.174 1.00 0.00 C ATOM 130 CG1 ILE A 10 9.285 4.056 0.245 1.00 0.00 C ATOM 131 CG2 ILE A 10 9.091 6.542 0.018 1.00 0.00 C ATOM 132 CD1 ILE A 10 8.498 3.999 1.551 1.00 0.00 C ATOM 0 H ILE A 10 11.923 3.742 -0.004 1.00 0.00 H new ATOM 0 HA ILE A 10 10.436 5.237 -1.950 1.00 0.00 H new ATOM 0 HB ILE A 10 10.655 5.502 1.087 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.605 3.982 -0.604 1.00 0.00 H new ATOM 0 HG13 ILE A 10 9.967 3.208 0.183 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.420 6.571 0.877 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.647 7.478 -0.040 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.508 6.409 -0.893 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.939 3.064 1.599 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.187 4.053 2.394 1.00 0.00 H new ATOM 0 HD13 ILE A 10 7.804 4.839 1.595 1.00 0.00 H new ATOM 144 N GLU A 11 13.027 6.630 -0.521 1.00 0.00 N ATOM 145 CA GLU A 11 13.869 7.847 -0.495 1.00 0.00 C ATOM 146 C GLU A 11 14.867 7.900 -1.670 1.00 0.00 C ATOM 147 O GLU A 11 14.921 8.886 -2.403 1.00 0.00 O ATOM 148 CB GLU A 11 14.666 7.870 0.829 1.00 0.00 C ATOM 149 CG GLU A 11 13.855 8.588 1.912 1.00 0.00 C ATOM 150 CD GLU A 11 12.580 7.811 2.207 1.00 0.00 C ATOM 151 OE1 GLU A 11 12.645 6.884 2.993 1.00 0.00 O ATOM 152 OE2 GLU A 11 11.555 8.158 1.641 1.00 0.00 O ATOM 0 H GLU A 11 13.447 5.814 -0.075 1.00 0.00 H new ATOM 0 HA GLU A 11 13.207 8.709 -0.581 1.00 0.00 H new ATOM 0 HB2 GLU A 11 14.891 6.852 1.146 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.620 8.376 0.681 1.00 0.00 H new ATOM 0 HG2 GLU A 11 14.450 8.685 2.820 1.00 0.00 H new ATOM 0 HG3 GLU A 11 13.608 9.598 1.584 1.00 0.00 H new ATOM 159 N GLY A 12 15.664 6.839 -1.822 1.00 0.00 N ATOM 160 CA GLY A 12 16.675 6.792 -2.899 1.00 0.00 C ATOM 161 C GLY A 12 16.259 5.855 -4.011 1.00 0.00 C ATOM 162 O GLY A 12 17.100 5.296 -4.713 1.00 0.00 O ATOM 0 H GLY A 12 15.636 6.011 -1.228 1.00 0.00 H new ATOM 0 HA2 GLY A 12 16.824 7.793 -3.303 1.00 0.00 H new ATOM 0 HA3 GLY A 12 17.631 6.468 -2.488 1.00 0.00 H new ATOM 166 N GLY A 13 14.960 5.695 -4.179 1.00 0.00 N ATOM 167 CA GLY A 13 14.435 4.825 -5.228 1.00 0.00 C ATOM 168 C GLY A 13 15.181 3.491 -5.268 1.00 0.00 C ATOM 169 O GLY A 13 15.596 2.969 -4.236 1.00 0.00 O ATOM 0 H GLY A 13 14.248 6.151 -3.609 1.00 0.00 H new ATOM 0 HA2 GLY A 13 13.374 4.646 -5.057 1.00 0.00 H new ATOM 0 HA3 GLY A 13 14.523 5.322 -6.194 1.00 0.00 H new ATOM 173 N TRP A 14 15.345 2.950 -6.468 1.00 0.00 N ATOM 174 CA TRP A 14 16.038 1.673 -6.637 1.00 0.00 C ATOM 175 C TRP A 14 17.418 1.707 -5.968 1.00 0.00 C ATOM 176 O TRP A 14 17.756 0.827 -5.174 1.00 0.00 O ATOM 177 CB TRP A 14 16.210 1.373 -8.118 1.00 0.00 C ATOM 178 CG TRP A 14 16.947 0.086 -8.271 1.00 0.00 C ATOM 179 CD1 TRP A 14 18.287 -0.032 -8.371 1.00 0.00 C ATOM 180 CD2 TRP A 14 16.411 -1.255 -8.334 1.00 0.00 C ATOM 181 NE1 TRP A 14 18.607 -1.372 -8.491 1.00 0.00 N ATOM 182 CE2 TRP A 14 17.481 -2.166 -8.475 1.00 0.00 C ATOM 183 CE3 TRP A 14 15.108 -1.765 -8.281 1.00 0.00 C ATOM 184 CZ2 TRP A 14 17.270 -3.535 -8.564 1.00 0.00 C ATOM 185 CZ3 TRP A 14 14.885 -3.158 -8.370 1.00 0.00 C ATOM 186 CH2 TRP A 14 15.972 -4.038 -8.512 1.00 0.00 C ATOM 0 H TRP A 14 15.011 3.370 -7.336 1.00 0.00 H new ATOM 0 HA TRP A 14 15.437 0.895 -6.166 1.00 0.00 H new ATOM 0 HB2 TRP A 14 15.237 1.309 -8.605 1.00 0.00 H new ATOM 0 HB3 TRP A 14 16.757 2.180 -8.604 1.00 0.00 H new ATOM 0 HD1 TRP A 14 18.993 0.785 -8.359 1.00 0.00 H new ATOM 0 HE1 TRP A 14 19.559 -1.728 -8.580 1.00 0.00 H new ATOM 0 HE3 TRP A 14 14.271 -1.092 -8.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 18.108 -4.207 -8.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 13.878 -3.547 -8.329 1.00 0.00 H new ATOM 0 HH2 TRP A 14 15.801 -5.102 -8.581 1.00 0.00 H new ATOM 197 N THR A 15 18.208 2.724 -6.300 1.00 0.00 N ATOM 198 CA THR A 15 19.553 2.864 -5.732 1.00 0.00 C ATOM 199 C THR A 15 19.512 2.796 -4.212 1.00 0.00 C ATOM 200 O THR A 15 20.367 2.167 -3.588 1.00 0.00 O ATOM 201 CB THR A 15 20.162 4.209 -6.168 1.00 0.00 C ATOM 202 OG1 THR A 15 19.957 4.387 -7.567 1.00 0.00 O ATOM 203 CG2 THR A 15 21.679 4.220 -5.866 1.00 0.00 C ATOM 0 H THR A 15 17.946 3.461 -6.955 1.00 0.00 H new ATOM 0 HA THR A 15 20.167 2.042 -6.100 1.00 0.00 H new ATOM 0 HB THR A 15 19.681 5.018 -5.619 1.00 0.00 H new ATOM 0 HG1 THR A 15 20.342 5.243 -7.848 1.00 0.00 H new ATOM 0 HG21 THR A 15 22.105 5.174 -6.177 1.00 0.00 H new ATOM 0 HG22 THR A 15 21.838 4.083 -4.796 1.00 0.00 H new ATOM 0 HG23 THR A 15 22.165 3.411 -6.412 1.00 0.00 H new ATOM 211 N GLY A 16 18.529 3.438 -3.623 1.00 0.00 N ATOM 212 CA GLY A 16 18.395 3.441 -2.177 1.00 0.00 C ATOM 213 C GLY A 16 18.131 2.039 -1.645 1.00 0.00 C ATOM 214 O GLY A 16 18.649 1.655 -0.598 1.00 0.00 O ATOM 0 H GLY A 16 17.810 3.965 -4.118 1.00 0.00 H new ATOM 0 HA2 GLY A 16 19.304 3.839 -1.726 1.00 0.00 H new ATOM 0 HA3 GLY A 16 17.579 4.103 -1.886 1.00 0.00 H new ATOM 218 N MET A 17 17.328 1.279 -2.372 1.00 0.00 N ATOM 219 CA MET A 17 16.998 -0.086 -1.957 1.00 0.00 C ATOM 220 C MET A 17 18.263 -0.921 -1.803 1.00 0.00 C ATOM 221 O MET A 17 18.431 -1.629 -0.807 1.00 0.00 O ATOM 222 CB MET A 17 16.072 -0.740 -2.988 1.00 0.00 C ATOM 223 CG MET A 17 15.381 -1.955 -2.367 1.00 0.00 C ATOM 224 SD MET A 17 14.256 -2.702 -3.583 1.00 0.00 S ATOM 225 CE MET A 17 15.515 -3.253 -4.767 1.00 0.00 C ATOM 0 H MET A 17 16.893 1.575 -3.246 1.00 0.00 H new ATOM 0 HA MET A 17 16.490 -0.038 -0.994 1.00 0.00 H new ATOM 0 HB2 MET A 17 15.327 -0.021 -3.329 1.00 0.00 H new ATOM 0 HB3 MET A 17 16.645 -1.044 -3.864 1.00 0.00 H new ATOM 0 HG2 MET A 17 16.124 -2.685 -2.047 1.00 0.00 H new ATOM 0 HG3 MET A 17 14.826 -1.656 -1.478 1.00 0.00 H new ATOM 0 HE1 MET A 17 15.149 -4.126 -5.308 1.00 0.00 H new ATOM 0 HE2 MET A 17 15.726 -2.450 -5.474 1.00 0.00 H new ATOM 0 HE3 MET A 17 16.428 -3.515 -4.232 1.00 0.00 H new ATOM 235 N ILE A 18 19.146 -0.837 -2.781 1.00 0.00 N ATOM 236 CA ILE A 18 20.388 -1.592 -2.733 1.00 0.00 C ATOM 237 C ILE A 18 21.210 -1.187 -1.518 1.00 0.00 C ATOM 238 O ILE A 18 21.690 -2.040 -0.770 1.00 0.00 O ATOM 239 CB ILE A 18 21.202 -1.346 -4.007 1.00 0.00 C ATOM 240 CG1 ILE A 18 20.334 -1.655 -5.236 1.00 0.00 C ATOM 241 CG2 ILE A 18 22.432 -2.261 -4.014 1.00 0.00 C ATOM 242 CD1 ILE A 18 21.065 -1.203 -6.513 1.00 0.00 C ATOM 0 H ILE A 18 19.030 -0.259 -3.613 1.00 0.00 H new ATOM 0 HA ILE A 18 20.144 -2.652 -2.659 1.00 0.00 H new ATOM 0 HB ILE A 18 21.522 -0.304 -4.036 1.00 0.00 H new ATOM 0 HG12 ILE A 18 20.123 -2.723 -5.285 1.00 0.00 H new ATOM 0 HG13 ILE A 18 19.375 -1.144 -5.154 1.00 0.00 H new ATOM 0 HG21 ILE A 18 23.011 -2.086 -4.921 1.00 0.00 H new ATOM 0 HG22 ILE A 18 23.050 -2.047 -3.142 1.00 0.00 H new ATOM 0 HG23 ILE A 18 22.111 -3.302 -3.984 1.00 0.00 H new ATOM 0 HD11 ILE A 18 20.447 -1.423 -7.383 1.00 0.00 H new ATOM 0 HD12 ILE A 18 21.254 -0.131 -6.464 1.00 0.00 H new ATOM 0 HD13 ILE A 18 22.013 -1.735 -6.597 1.00 0.00 H new ATOM 254 N ASP A 19 21.377 0.119 -1.327 1.00 0.00 N ATOM 255 CA ASP A 19 22.153 0.620 -0.202 1.00 0.00 C ATOM 256 C ASP A 19 21.541 0.172 1.122 1.00 0.00 C ATOM 257 O ASP A 19 22.253 -0.231 2.041 1.00 0.00 O ATOM 258 CB ASP A 19 22.209 2.149 -0.249 1.00 0.00 C ATOM 259 CG ASP A 19 23.259 2.665 0.728 1.00 0.00 C ATOM 260 OD1 ASP A 19 23.196 2.289 1.887 1.00 0.00 O ATOM 261 OD2 ASP A 19 24.111 3.426 0.304 1.00 0.00 O ATOM 0 H ASP A 19 20.988 0.842 -1.932 1.00 0.00 H new ATOM 0 HA ASP A 19 23.162 0.214 -0.274 1.00 0.00 H new ATOM 0 HB2 ASP A 19 22.447 2.481 -1.260 1.00 0.00 H new ATOM 0 HB3 ASP A 19 21.233 2.564 0.001 1.00 0.00 H new ATOM 266 N GLY A 20 20.216 0.246 1.215 1.00 0.00 N ATOM 267 CA GLY A 20 19.525 -0.154 2.432 1.00 0.00 C ATOM 268 C GLY A 20 19.723 -1.638 2.710 1.00 0.00 C ATOM 269 O GLY A 20 19.903 -2.046 3.857 1.00 0.00 O ATOM 0 H GLY A 20 19.606 0.577 0.468 1.00 0.00 H new ATOM 0 HA2 GLY A 20 19.897 0.430 3.274 1.00 0.00 H new ATOM 0 HA3 GLY A 20 18.461 0.063 2.338 1.00 0.00 H new ATOM 273 N TRP A 21 19.685 -2.443 1.652 1.00 0.00 N ATOM 274 CA TRP A 21 19.857 -3.886 1.796 1.00 0.00 C ATOM 275 C TRP A 21 21.257 -4.212 2.309 1.00 0.00 C ATOM 276 O TRP A 21 21.425 -5.047 3.198 1.00 0.00 O ATOM 277 CB TRP A 21 19.630 -4.576 0.452 1.00 0.00 C ATOM 278 CG TRP A 21 19.785 -6.052 0.620 1.00 0.00 C ATOM 279 CD1 TRP A 21 20.810 -6.786 0.129 1.00 0.00 C ATOM 280 CD2 TRP A 21 18.909 -6.982 1.313 1.00 0.00 C ATOM 281 NE1 TRP A 21 20.617 -8.110 0.483 1.00 0.00 N ATOM 282 CE2 TRP A 21 19.456 -8.280 1.214 1.00 0.00 C ATOM 283 CE3 TRP A 21 17.697 -6.825 2.016 1.00 0.00 C ATOM 284 CZ2 TRP A 21 18.834 -9.382 1.787 1.00 0.00 C ATOM 285 CZ3 TRP A 21 17.064 -7.942 2.598 1.00 0.00 C ATOM 286 CH2 TRP A 21 17.637 -9.218 2.479 1.00 0.00 C ATOM 0 H TRP A 21 19.538 -2.125 0.694 1.00 0.00 H new ATOM 0 HA TRP A 21 19.125 -4.249 2.518 1.00 0.00 H new ATOM 0 HB2 TRP A 21 18.634 -4.344 0.075 1.00 0.00 H new ATOM 0 HB3 TRP A 21 20.343 -4.206 -0.284 1.00 0.00 H new ATOM 0 HD1 TRP A 21 21.641 -6.402 -0.444 1.00 0.00 H new ATOM 0 HE1 TRP A 21 21.253 -8.868 0.235 1.00 0.00 H new ATOM 0 HE3 TRP A 21 17.252 -5.845 2.109 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 19.277 -10.363 1.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 16.136 -7.816 3.137 1.00 0.00 H new ATOM 0 HH2 TRP A 21 17.149 -10.073 2.924 1.00 0.00 H new ATOM 297 N TYR A 22 22.257 -3.545 1.747 1.00 0.00 N ATOM 298 CA TYR A 22 23.638 -3.767 2.158 1.00 0.00 C ATOM 299 C TYR A 22 23.829 -3.373 3.619 1.00 0.00 C ATOM 300 O TYR A 22 24.671 -3.939 4.319 1.00 0.00 O ATOM 301 CB TYR A 22 24.593 -2.940 1.261 1.00 0.00 C ATOM 302 CG TYR A 22 24.951 -3.742 0.017 1.00 0.00 C ATOM 303 CD1 TYR A 22 23.936 -4.296 -0.774 1.00 0.00 C ATOM 304 CD2 TYR A 22 26.295 -3.928 -0.340 1.00 0.00 C ATOM 305 CE1 TYR A 22 24.264 -5.035 -1.918 1.00 0.00 C ATOM 306 CE2 TYR A 22 26.621 -4.666 -1.482 1.00 0.00 C ATOM 307 CZ TYR A 22 25.605 -5.219 -2.271 1.00 0.00 C ATOM 308 OH TYR A 22 25.927 -5.947 -3.397 1.00 0.00 O ATOM 0 H TYR A 22 22.139 -2.850 1.010 1.00 0.00 H new ATOM 0 HA TYR A 22 23.869 -4.827 2.049 1.00 0.00 H new ATOM 0 HB2 TYR A 22 24.118 -2.001 0.976 1.00 0.00 H new ATOM 0 HB3 TYR A 22 25.497 -2.685 1.814 1.00 0.00 H new ATOM 0 HD1 TYR A 22 22.901 -4.153 -0.502 1.00 0.00 H new ATOM 0 HD2 TYR A 22 27.079 -3.501 0.268 1.00 0.00 H new ATOM 0 HE1 TYR A 22 23.482 -5.463 -2.527 1.00 0.00 H new ATOM 0 HE2 TYR A 22 27.656 -4.809 -1.755 1.00 0.00 H new ATOM 0 HH TYR A 22 26.901 -5.978 -3.499 1.00 0.00 H new ATOM 318 N GLY A 23 23.048 -2.403 4.073 1.00 0.00 N ATOM 319 CA GLY A 23 23.146 -1.947 5.450 1.00 0.00 C ATOM 320 C GLY A 23 23.092 -3.123 6.417 1.00 0.00 C ATOM 321 O GLY A 23 22.201 -3.970 6.330 1.00 0.00 O ATOM 0 H GLY A 23 22.345 -1.921 3.513 1.00 0.00 H new ATOM 0 HA2 GLY A 23 24.077 -1.398 5.590 1.00 0.00 H new ATOM 0 HA3 GLY A 23 22.332 -1.255 5.667 1.00 0.00 H new ATOM 325 N SER A 24 24.054 -3.169 7.340 1.00 0.00 N ATOM 326 CA SER A 24 24.111 -4.254 8.330 1.00 0.00 C ATOM 327 C SER A 24 24.227 -3.684 9.741 1.00 0.00 C ATOM 328 O SER A 24 23.487 -4.128 10.602 1.00 0.00 O ATOM 329 CB SER A 24 25.311 -5.153 8.046 1.00 0.00 C ATOM 330 OG SER A 24 25.363 -6.194 9.020 1.00 0.00 O ATOM 0 H SER A 24 24.799 -2.477 7.426 1.00 0.00 H new ATOM 0 HA SER A 24 23.193 -4.837 8.258 1.00 0.00 H new ATOM 0 HB2 SER A 24 25.232 -5.579 7.046 1.00 0.00 H new ATOM 0 HB3 SER A 24 26.231 -4.569 8.072 1.00 0.00 H new ATOM 0 HG SER A 24 26.132 -6.774 8.839 1.00 0.00 H new TER 336 SER A 24 ATOM 337 N GLY B 1 38.851 -4.345 7.150 1.00 0.00 N ATOM 338 CA GLY B 1 37.525 -4.953 7.448 1.00 0.00 C ATOM 339 C GLY B 1 36.560 -4.654 6.310 1.00 0.00 C ATOM 340 O GLY B 1 36.697 -3.641 5.612 1.00 0.00 O ATOM 0 H1 GLY B 1 39.555 -5.098 7.013 1.00 0.00 H new ATOM 0 H2 GLY B 1 38.784 -3.772 6.285 1.00 0.00 H new ATOM 0 H3 GLY B 1 39.142 -3.740 7.944 1.00 0.00 H new ATOM 0 HA2 GLY B 1 37.628 -6.030 7.577 1.00 0.00 H new ATOM 0 HA3 GLY B 1 37.133 -4.556 8.384 1.00 0.00 H new ATOM 346 N LEU B 2 35.584 -5.532 6.125 1.00 0.00 N ATOM 347 CA LEU B 2 34.601 -5.349 5.069 1.00 0.00 C ATOM 348 C LEU B 2 33.979 -3.963 5.157 1.00 0.00 C ATOM 349 O LEU B 2 33.645 -3.356 4.138 1.00 0.00 O ATOM 350 CB LEU B 2 33.500 -6.422 5.183 1.00 0.00 C ATOM 351 CG LEU B 2 32.377 -6.136 4.159 1.00 0.00 C ATOM 352 CD1 LEU B 2 32.961 -6.117 2.735 1.00 0.00 C ATOM 353 CD2 LEU B 2 31.308 -7.233 4.260 1.00 0.00 C ATOM 0 H LEU B 2 35.453 -6.372 6.688 1.00 0.00 H new ATOM 0 HA LEU B 2 35.103 -5.449 4.106 1.00 0.00 H new ATOM 0 HB2 LEU B 2 33.924 -7.410 5.004 1.00 0.00 H new ATOM 0 HB3 LEU B 2 33.090 -6.429 6.193 1.00 0.00 H new ATOM 0 HG LEU B 2 31.930 -5.166 4.375 1.00 0.00 H new ATOM 0 HD11 LEU B 2 32.165 -5.915 2.018 1.00 0.00 H new ATOM 0 HD12 LEU B 2 33.720 -5.338 2.663 1.00 0.00 H new ATOM 0 HD13 LEU B 2 33.412 -7.084 2.514 1.00 0.00 H new ATOM 0 HD21 LEU B 2 30.514 -7.035 3.540 1.00 0.00 H new ATOM 0 HD22 LEU B 2 31.759 -8.202 4.046 1.00 0.00 H new ATOM 0 HD23 LEU B 2 30.890 -7.242 5.267 1.00 0.00 H new ATOM 365 N PHE B 3 33.821 -3.468 6.376 1.00 0.00 N ATOM 366 CA PHE B 3 33.234 -2.155 6.582 1.00 0.00 C ATOM 367 C PHE B 3 34.063 -1.082 5.885 1.00 0.00 C ATOM 368 O PHE B 3 33.520 -0.182 5.249 1.00 0.00 O ATOM 369 CB PHE B 3 33.150 -1.846 8.083 1.00 0.00 C ATOM 370 CG PHE B 3 32.080 -2.707 8.719 1.00 0.00 C ATOM 371 CD1 PHE B 3 30.731 -2.363 8.577 1.00 0.00 C ATOM 372 CD2 PHE B 3 32.438 -3.848 9.452 1.00 0.00 C ATOM 373 CE1 PHE B 3 29.740 -3.155 9.165 1.00 0.00 C ATOM 374 CE2 PHE B 3 31.446 -4.641 10.040 1.00 0.00 C ATOM 375 CZ PHE B 3 30.097 -4.295 9.896 1.00 0.00 C ATOM 0 H PHE B 3 34.090 -3.953 7.232 1.00 0.00 H new ATOM 0 HA PHE B 3 32.231 -2.157 6.156 1.00 0.00 H new ATOM 0 HB2 PHE B 3 34.113 -2.035 8.558 1.00 0.00 H new ATOM 0 HB3 PHE B 3 32.921 -0.791 8.235 1.00 0.00 H new ATOM 0 HD1 PHE B 3 30.455 -1.485 8.012 1.00 0.00 H new ATOM 0 HD2 PHE B 3 33.479 -4.114 9.563 1.00 0.00 H new ATOM 0 HE1 PHE B 3 28.699 -2.888 9.055 1.00 0.00 H new ATOM 0 HE2 PHE B 3 31.721 -5.520 10.605 1.00 0.00 H new ATOM 0 HZ PHE B 3 29.331 -4.907 10.349 1.00 0.00 H new ATOM 385 N GLY B 4 35.380 -1.184 6.009 1.00 0.00 N ATOM 386 CA GLY B 4 36.271 -0.215 5.386 1.00 0.00 C ATOM 387 C GLY B 4 36.092 -0.210 3.877 1.00 0.00 C ATOM 388 O GLY B 4 36.030 0.849 3.253 1.00 0.00 O ATOM 0 H GLY B 4 35.852 -1.922 6.531 1.00 0.00 H new ATOM 0 HA2 GLY B 4 36.069 0.780 5.784 1.00 0.00 H new ATOM 0 HA3 GLY B 4 37.305 -0.454 5.633 1.00 0.00 H new ATOM 392 N ALA B 5 36.006 -1.400 3.293 1.00 0.00 N ATOM 393 CA ALA B 5 35.829 -1.522 1.847 1.00 0.00 C ATOM 394 C ALA B 5 34.523 -0.857 1.412 1.00 0.00 C ATOM 395 O ALA B 5 34.501 -0.070 0.464 1.00 0.00 O ATOM 396 CB ALA B 5 35.819 -3.019 1.442 1.00 0.00 C ATOM 0 H ALA B 5 36.055 -2.288 3.792 1.00 0.00 H new ATOM 0 HA ALA B 5 36.659 -1.021 1.349 1.00 0.00 H new ATOM 0 HB1 ALA B 5 35.687 -3.103 0.363 1.00 0.00 H new ATOM 0 HB2 ALA B 5 36.764 -3.480 1.729 1.00 0.00 H new ATOM 0 HB3 ALA B 5 34.999 -3.528 1.949 1.00 0.00 H new ATOM 402 N ILE B 6 33.445 -1.176 2.107 1.00 0.00 N ATOM 403 CA ILE B 6 32.149 -0.605 1.783 1.00 0.00 C ATOM 404 C ILE B 6 32.156 0.905 2.012 1.00 0.00 C ATOM 405 O ILE B 6 31.651 1.673 1.184 1.00 0.00 O ATOM 406 CB ILE B 6 31.062 -1.251 2.651 1.00 0.00 C ATOM 407 CG1 ILE B 6 30.912 -2.730 2.261 1.00 0.00 C ATOM 408 CG2 ILE B 6 29.721 -0.526 2.423 1.00 0.00 C ATOM 409 CD1 ILE B 6 30.019 -3.440 3.280 1.00 0.00 C ATOM 0 H ILE B 6 33.441 -1.824 2.895 1.00 0.00 H new ATOM 0 HA ILE B 6 31.939 -0.800 0.732 1.00 0.00 H new ATOM 0 HB ILE B 6 31.343 -1.174 3.701 1.00 0.00 H new ATOM 0 HG12 ILE B 6 30.480 -2.812 1.264 1.00 0.00 H new ATOM 0 HG13 ILE B 6 31.891 -3.208 2.224 1.00 0.00 H new ATOM 0 HG21 ILE B 6 28.949 -0.986 3.040 1.00 0.00 H new ATOM 0 HG22 ILE B 6 29.825 0.525 2.694 1.00 0.00 H new ATOM 0 HG23 ILE B 6 29.440 -0.603 1.373 1.00 0.00 H new ATOM 0 HD11 ILE B 6 29.913 -4.489 3.003 1.00 0.00 H new ATOM 0 HD12 ILE B 6 30.470 -3.370 4.270 1.00 0.00 H new ATOM 0 HD13 ILE B 6 29.037 -2.968 3.295 1.00 0.00 H new ATOM 421 N ALA B 7 32.723 1.326 3.135 1.00 0.00 N ATOM 422 CA ALA B 7 32.781 2.745 3.459 1.00 0.00 C ATOM 423 C ALA B 7 33.635 3.492 2.443 1.00 0.00 C ATOM 424 O ALA B 7 33.293 4.596 2.024 1.00 0.00 O ATOM 425 CB ALA B 7 33.358 2.939 4.864 1.00 0.00 C ATOM 0 H ALA B 7 33.146 0.712 3.831 1.00 0.00 H new ATOM 0 HA ALA B 7 31.769 3.148 3.427 1.00 0.00 H new ATOM 0 HB1 ALA B 7 33.398 4.003 5.097 1.00 0.00 H new ATOM 0 HB2 ALA B 7 32.724 2.431 5.591 1.00 0.00 H new ATOM 0 HB3 ALA B 7 34.364 2.521 4.905 1.00 0.00 H new ATOM 431 N ALA B 8 34.744 2.880 2.051 1.00 0.00 N ATOM 432 CA ALA B 8 35.638 3.497 1.081 1.00 0.00 C ATOM 433 C ALA B 8 34.975 3.557 -0.292 1.00 0.00 C ATOM 434 O ALA B 8 35.294 4.417 -1.108 1.00 0.00 O ATOM 435 CB ALA B 8 36.938 2.698 0.987 1.00 0.00 C ATOM 0 H ALA B 8 35.044 1.965 2.386 1.00 0.00 H new ATOM 0 HA ALA B 8 35.860 4.512 1.411 1.00 0.00 H new ATOM 0 HB1 ALA B 8 37.601 3.166 0.259 1.00 0.00 H new ATOM 0 HB2 ALA B 8 37.425 2.679 1.962 1.00 0.00 H new ATOM 0 HB3 ALA B 8 36.716 1.678 0.672 1.00 0.00 H new ATOM 441 N PHE B 9 34.053 2.639 -0.536 1.00 0.00 N ATOM 442 CA PHE B 9 33.356 2.603 -1.816 1.00 0.00 C ATOM 443 C PHE B 9 32.470 3.840 -1.962 1.00 0.00 C ATOM 444 O PHE B 9 32.369 4.422 -3.041 1.00 0.00 O ATOM 445 CB PHE B 9 32.511 1.327 -1.924 1.00 0.00 C ATOM 446 CG PHE B 9 31.991 1.174 -3.334 1.00 0.00 C ATOM 447 CD1 PHE B 9 32.798 0.593 -4.316 1.00 0.00 C ATOM 448 CD2 PHE B 9 30.698 1.610 -3.658 1.00 0.00 C ATOM 449 CE1 PHE B 9 32.316 0.445 -5.622 1.00 0.00 C ATOM 450 CE2 PHE B 9 30.217 1.463 -4.962 1.00 0.00 C ATOM 451 CZ PHE B 9 31.026 0.881 -5.945 1.00 0.00 C ATOM 0 H PHE B 9 33.771 1.916 0.126 1.00 0.00 H new ATOM 0 HA PHE B 9 34.092 2.600 -2.620 1.00 0.00 H new ATOM 0 HB2 PHE B 9 33.111 0.459 -1.652 1.00 0.00 H new ATOM 0 HB3 PHE B 9 31.678 1.371 -1.222 1.00 0.00 H new ATOM 0 HD1 PHE B 9 33.794 0.258 -4.067 1.00 0.00 H new ATOM 0 HD2 PHE B 9 30.074 2.059 -2.900 1.00 0.00 H new ATOM 0 HE1 PHE B 9 32.940 -0.006 -6.380 1.00 0.00 H new ATOM 0 HE2 PHE B 9 29.221 1.798 -5.211 1.00 0.00 H new ATOM 0 HZ PHE B 9 30.655 0.768 -6.953 1.00 0.00 H new ATOM 461 N ILE B 10 31.837 4.234 -0.860 1.00 0.00 N ATOM 462 CA ILE B 10 30.961 5.412 -0.861 1.00 0.00 C ATOM 463 C ILE B 10 31.779 6.696 -0.649 1.00 0.00 C ATOM 464 O ILE B 10 31.633 7.670 -1.388 1.00 0.00 O ATOM 465 CB ILE B 10 29.928 5.286 0.252 1.00 0.00 C ATOM 466 CG1 ILE B 10 29.187 3.945 0.111 1.00 0.00 C ATOM 467 CG2 ILE B 10 28.921 6.440 0.140 1.00 0.00 C ATOM 468 CD1 ILE B 10 28.255 3.739 1.312 1.00 0.00 C ATOM 0 H ILE B 10 31.910 3.762 0.041 1.00 0.00 H new ATOM 0 HA ILE B 10 30.460 5.467 -1.827 1.00 0.00 H new ATOM 0 HB ILE B 10 30.425 5.327 1.221 1.00 0.00 H new ATOM 0 HG12 ILE B 10 28.611 3.932 -0.814 1.00 0.00 H new ATOM 0 HG13 ILE B 10 29.905 3.127 0.051 1.00 0.00 H new ATOM 0 HG21 ILE B 10 28.180 6.354 0.934 1.00 0.00 H new ATOM 0 HG22 ILE B 10 29.445 7.391 0.234 1.00 0.00 H new ATOM 0 HG23 ILE B 10 28.422 6.395 -0.828 1.00 0.00 H new ATOM 0 HD11 ILE B 10 27.732 2.788 1.208 1.00 0.00 H new ATOM 0 HD12 ILE B 10 28.842 3.732 2.231 1.00 0.00 H new ATOM 0 HD13 ILE B 10 27.528 4.550 1.352 1.00 0.00 H new ATOM 480 N GLU B 11 32.636 6.678 0.376 1.00 0.00 N ATOM 481 CA GLU B 11 33.476 7.843 0.695 1.00 0.00 C ATOM 482 C GLU B 11 34.670 7.933 -0.258 1.00 0.00 C ATOM 483 O GLU B 11 34.972 9.005 -0.784 1.00 0.00 O ATOM 484 CB GLU B 11 33.985 7.743 2.147 1.00 0.00 C ATOM 485 CG GLU B 11 32.861 8.118 3.119 1.00 0.00 C ATOM 486 CD GLU B 11 31.701 7.144 2.973 1.00 0.00 C ATOM 487 OE1 GLU B 11 31.727 6.117 3.629 1.00 0.00 O ATOM 488 OE2 GLU B 11 30.803 7.438 2.210 1.00 0.00 O ATOM 0 H GLU B 11 32.768 5.879 0.996 1.00 0.00 H new ATOM 0 HA GLU B 11 32.869 8.741 0.580 1.00 0.00 H new ATOM 0 HB2 GLU B 11 34.332 6.730 2.351 1.00 0.00 H new ATOM 0 HB3 GLU B 11 34.838 8.407 2.289 1.00 0.00 H new ATOM 0 HG2 GLU B 11 33.234 8.101 4.143 1.00 0.00 H new ATOM 0 HG3 GLU B 11 32.521 9.134 2.920 1.00 0.00 H new ATOM 495 N GLY B 12 35.342 6.810 -0.472 1.00 0.00 N ATOM 496 CA GLY B 12 36.502 6.782 -1.364 1.00 0.00 C ATOM 497 C GLY B 12 36.067 6.763 -2.822 1.00 0.00 C ATOM 498 O GLY B 12 36.853 6.435 -3.709 1.00 0.00 O ATOM 0 H GLY B 12 35.110 5.912 -0.047 1.00 0.00 H new ATOM 0 HA2 GLY B 12 37.129 7.654 -1.179 1.00 0.00 H new ATOM 0 HA3 GLY B 12 37.109 5.902 -1.150 1.00 0.00 H new ATOM 502 N GLY B 13 34.810 7.117 -3.065 1.00 0.00 N ATOM 503 CA GLY B 13 34.282 7.135 -4.426 1.00 0.00 C ATOM 504 C GLY B 13 34.207 5.727 -4.995 1.00 0.00 C ATOM 505 O GLY B 13 35.080 4.897 -4.742 1.00 0.00 O ATOM 0 H GLY B 13 34.142 7.393 -2.345 1.00 0.00 H new ATOM 0 HA2 GLY B 13 33.290 7.587 -4.430 1.00 0.00 H new ATOM 0 HA3 GLY B 13 34.917 7.755 -5.059 1.00 0.00 H new ATOM 509 N TRP B 14 33.156 5.460 -5.766 1.00 0.00 N ATOM 510 CA TRP B 14 32.977 4.140 -6.369 1.00 0.00 C ATOM 511 C TRP B 14 33.848 3.994 -7.609 1.00 0.00 C ATOM 512 O TRP B 14 34.437 2.940 -7.845 1.00 0.00 O ATOM 513 CB TRP B 14 31.510 3.935 -6.747 1.00 0.00 C ATOM 514 CG TRP B 14 31.030 5.104 -7.542 1.00 0.00 C ATOM 515 CD1 TRP B 14 30.716 6.315 -7.031 1.00 0.00 C ATOM 516 CD2 TRP B 14 30.803 5.192 -8.976 1.00 0.00 C ATOM 517 NE1 TRP B 14 30.311 7.143 -8.065 1.00 0.00 N ATOM 518 CE2 TRP B 14 30.348 6.492 -9.283 1.00 0.00 C ATOM 519 CE3 TRP B 14 30.947 4.273 -10.033 1.00 0.00 C ATOM 520 CZ2 TRP B 14 30.047 6.875 -10.585 1.00 0.00 C ATOM 521 CZ3 TRP B 14 30.643 4.658 -11.356 1.00 0.00 C ATOM 522 CH2 TRP B 14 30.193 5.959 -11.626 1.00 0.00 C ATOM 0 H TRP B 14 32.421 6.132 -5.987 1.00 0.00 H new ATOM 0 HA TRP B 14 33.274 3.386 -5.641 1.00 0.00 H new ATOM 0 HB2 TRP B 14 31.398 3.018 -7.326 1.00 0.00 H new ATOM 0 HB3 TRP B 14 30.905 3.821 -5.848 1.00 0.00 H new ATOM 0 HD1 TRP B 14 30.772 6.592 -5.989 1.00 0.00 H new ATOM 0 HE1 TRP B 14 30.021 8.113 -7.942 1.00 0.00 H new ATOM 0 HE3 TRP B 14 31.291 3.270 -9.830 1.00 0.00 H new ATOM 0 HZ2 TRP B 14 29.702 7.878 -10.789 1.00 0.00 H new ATOM 0 HZ3 TRP B 14 30.757 3.949 -12.163 1.00 0.00 H new ATOM 0 HH2 TRP B 14 29.960 6.251 -12.639 1.00 0.00 H new ATOM 533 N THR B 15 33.920 5.057 -8.402 1.00 0.00 N ATOM 534 CA THR B 15 34.716 5.037 -9.624 1.00 0.00 C ATOM 535 C THR B 15 36.204 5.182 -9.307 1.00 0.00 C ATOM 536 O THR B 15 37.054 4.868 -10.139 1.00 0.00 O ATOM 537 CB THR B 15 34.271 6.180 -10.560 1.00 0.00 C ATOM 538 OG1 THR B 15 32.855 6.309 -10.502 1.00 0.00 O ATOM 539 CG2 THR B 15 34.696 5.865 -11.997 1.00 0.00 C ATOM 0 H THR B 15 33.440 5.939 -8.222 1.00 0.00 H new ATOM 0 HA THR B 15 34.559 4.079 -10.119 1.00 0.00 H new ATOM 0 HB THR B 15 34.738 7.112 -10.243 1.00 0.00 H new ATOM 0 HG1 THR B 15 32.449 5.422 -10.404 1.00 0.00 H new ATOM 0 HG21 THR B 15 34.380 6.674 -12.655 1.00 0.00 H new ATOM 0 HG22 THR B 15 35.780 5.763 -12.042 1.00 0.00 H new ATOM 0 HG23 THR B 15 34.230 4.933 -12.318 1.00 0.00 H new ATOM 547 N GLY B 16 36.515 5.667 -8.105 1.00 0.00 N ATOM 548 CA GLY B 16 37.905 5.854 -7.705 1.00 0.00 C ATOM 549 C GLY B 16 38.603 4.520 -7.469 1.00 0.00 C ATOM 550 O GLY B 16 39.687 4.275 -8.001 1.00 0.00 O ATOM 0 H GLY B 16 35.829 5.935 -7.399 1.00 0.00 H new ATOM 0 HA2 GLY B 16 38.435 6.411 -8.477 1.00 0.00 H new ATOM 0 HA3 GLY B 16 37.945 6.453 -6.795 1.00 0.00 H new ATOM 554 N MET B 17 37.983 3.662 -6.670 1.00 0.00 N ATOM 555 CA MET B 17 38.565 2.358 -6.373 1.00 0.00 C ATOM 556 C MET B 17 38.629 1.501 -7.633 1.00 0.00 C ATOM 557 O MET B 17 39.612 0.799 -7.868 1.00 0.00 O ATOM 558 CB MET B 17 37.732 1.641 -5.301 1.00 0.00 C ATOM 559 CG MET B 17 38.490 0.401 -4.804 1.00 0.00 C ATOM 560 SD MET B 17 37.713 -0.213 -3.283 1.00 0.00 S ATOM 561 CE MET B 17 36.671 -1.479 -4.044 1.00 0.00 C ATOM 0 H MET B 17 37.086 3.842 -6.219 1.00 0.00 H new ATOM 0 HA MET B 17 39.578 2.510 -6.000 1.00 0.00 H new ATOM 0 HB2 MET B 17 37.533 2.316 -4.469 1.00 0.00 H new ATOM 0 HB3 MET B 17 36.766 1.349 -5.712 1.00 0.00 H new ATOM 0 HG2 MET B 17 38.480 -0.375 -5.569 1.00 0.00 H new ATOM 0 HG3 MET B 17 39.534 0.651 -4.616 1.00 0.00 H new ATOM 0 HE1 MET B 17 36.096 -1.989 -3.272 1.00 0.00 H new ATOM 0 HE2 MET B 17 35.989 -1.011 -4.754 1.00 0.00 H new ATOM 0 HE3 MET B 17 37.299 -2.201 -4.566 1.00 0.00 H new ATOM 571 N ILE B 18 37.578 1.566 -8.441 1.00 0.00 N ATOM 572 CA ILE B 18 37.529 0.792 -9.676 1.00 0.00 C ATOM 573 C ILE B 18 38.636 1.241 -10.626 1.00 0.00 C ATOM 574 O ILE B 18 39.306 0.415 -11.249 1.00 0.00 O ATOM 575 CB ILE B 18 36.162 0.961 -10.351 1.00 0.00 C ATOM 576 CG1 ILE B 18 35.081 0.301 -9.476 1.00 0.00 C ATOM 577 CG2 ILE B 18 36.181 0.289 -11.742 1.00 0.00 C ATOM 578 CD1 ILE B 18 33.697 0.684 -9.998 1.00 0.00 C ATOM 0 H ILE B 18 36.754 2.141 -8.266 1.00 0.00 H new ATOM 0 HA ILE B 18 37.678 -0.260 -9.433 1.00 0.00 H new ATOM 0 HB ILE B 18 35.943 2.022 -10.469 1.00 0.00 H new ATOM 0 HG12 ILE B 18 35.199 -0.783 -9.489 1.00 0.00 H new ATOM 0 HG13 ILE B 18 35.192 0.621 -8.440 1.00 0.00 H new ATOM 0 HG21 ILE B 18 35.208 0.411 -12.218 1.00 0.00 H new ATOM 0 HG22 ILE B 18 36.949 0.754 -12.360 1.00 0.00 H new ATOM 0 HG23 ILE B 18 36.399 -0.773 -11.630 1.00 0.00 H new ATOM 0 HD11 ILE B 18 32.932 0.216 -9.378 1.00 0.00 H new ATOM 0 HD12 ILE B 18 33.581 1.767 -9.962 1.00 0.00 H new ATOM 0 HD13 ILE B 18 33.589 0.342 -11.027 1.00 0.00 H new ATOM 590 N ASP B 19 38.825 2.550 -10.732 1.00 0.00 N ATOM 591 CA ASP B 19 39.856 3.092 -11.606 1.00 0.00 C ATOM 592 C ASP B 19 41.231 2.582 -11.187 1.00 0.00 C ATOM 593 O ASP B 19 42.047 2.208 -12.027 1.00 0.00 O ATOM 594 CB ASP B 19 39.838 4.620 -11.549 1.00 0.00 C ATOM 595 CG ASP B 19 40.775 5.192 -12.605 1.00 0.00 C ATOM 596 OD1 ASP B 19 41.723 4.512 -12.958 1.00 0.00 O ATOM 597 OD2 ASP B 19 40.532 6.304 -13.044 1.00 0.00 O ATOM 0 H ASP B 19 38.282 3.251 -10.228 1.00 0.00 H new ATOM 0 HA ASP B 19 39.653 2.765 -12.626 1.00 0.00 H new ATOM 0 HB2 ASP B 19 38.825 4.986 -11.713 1.00 0.00 H new ATOM 0 HB3 ASP B 19 40.143 4.959 -10.559 1.00 0.00 H new ATOM 602 N GLY B 20 41.478 2.566 -9.882 1.00 0.00 N ATOM 603 CA GLY B 20 42.757 2.097 -9.360 1.00 0.00 C ATOM 604 C GLY B 20 43.010 0.650 -9.767 1.00 0.00 C ATOM 605 O GLY B 20 44.124 0.283 -10.137 1.00 0.00 O ATOM 0 H GLY B 20 40.814 2.870 -9.170 1.00 0.00 H new ATOM 0 HA2 GLY B 20 43.562 2.730 -9.733 1.00 0.00 H new ATOM 0 HA3 GLY B 20 42.764 2.180 -8.273 1.00 0.00 H new ATOM 609 N TRP B 21 41.966 -0.169 -9.692 1.00 0.00 N ATOM 610 CA TRP B 21 42.084 -1.577 -10.050 1.00 0.00 C ATOM 611 C TRP B 21 42.508 -1.728 -11.517 1.00 0.00 C ATOM 612 O TRP B 21 43.411 -2.501 -11.837 1.00 0.00 O ATOM 613 CB TRP B 21 40.730 -2.292 -9.826 1.00 0.00 C ATOM 614 CG TRP B 21 40.976 -3.735 -9.493 1.00 0.00 C ATOM 615 CD1 TRP B 21 41.090 -4.733 -10.399 1.00 0.00 C ATOM 616 CD2 TRP B 21 41.143 -4.345 -8.186 1.00 0.00 C ATOM 617 NE1 TRP B 21 41.319 -5.920 -9.723 1.00 0.00 N ATOM 618 CE2 TRP B 21 41.359 -5.729 -8.356 1.00 0.00 C ATOM 619 CE3 TRP B 21 41.129 -3.832 -6.874 1.00 0.00 C ATOM 620 CZ2 TRP B 21 41.553 -6.578 -7.275 1.00 0.00 C ATOM 621 CZ3 TRP B 21 41.326 -4.691 -5.774 1.00 0.00 C ATOM 622 CH2 TRP B 21 41.538 -6.063 -5.980 1.00 0.00 C ATOM 0 H TRP B 21 41.035 0.116 -9.389 1.00 0.00 H new ATOM 0 HA TRP B 21 42.846 -2.031 -9.416 1.00 0.00 H new ATOM 0 HB2 TRP B 21 40.181 -1.809 -9.017 1.00 0.00 H new ATOM 0 HB3 TRP B 21 40.113 -2.214 -10.721 1.00 0.00 H new ATOM 0 HD1 TRP B 21 41.015 -4.623 -11.471 1.00 0.00 H new ATOM 0 HE1 TRP B 21 41.443 -6.824 -10.179 1.00 0.00 H new ATOM 0 HE3 TRP B 21 40.967 -2.777 -6.710 1.00 0.00 H new ATOM 0 HZ2 TRP B 21 41.715 -7.633 -7.437 1.00 0.00 H new ATOM 0 HZ3 TRP B 21 41.314 -4.292 -4.770 1.00 0.00 H new ATOM 0 HH2 TRP B 21 41.689 -6.719 -5.136 1.00 0.00 H new ATOM 633 N TYR B 22 41.845 -0.980 -12.396 1.00 0.00 N ATOM 634 CA TYR B 22 42.153 -1.030 -13.822 1.00 0.00 C ATOM 635 C TYR B 22 43.546 -0.456 -14.090 1.00 0.00 C ATOM 636 O TYR B 22 44.266 -0.932 -14.966 1.00 0.00 O ATOM 637 CB TYR B 22 41.091 -0.231 -14.621 1.00 0.00 C ATOM 638 CG TYR B 22 39.967 -1.159 -15.042 1.00 0.00 C ATOM 639 CD1 TYR B 22 40.092 -1.923 -16.209 1.00 0.00 C ATOM 640 CD2 TYR B 22 38.806 -1.252 -14.266 1.00 0.00 C ATOM 641 CE1 TYR B 22 39.057 -2.779 -16.600 1.00 0.00 C ATOM 642 CE2 TYR B 22 37.771 -2.109 -14.657 1.00 0.00 C ATOM 643 CZ TYR B 22 37.895 -2.872 -15.824 1.00 0.00 C ATOM 644 OH TYR B 22 36.875 -3.716 -16.210 1.00 0.00 O ATOM 0 H TYR B 22 41.095 -0.335 -12.147 1.00 0.00 H new ATOM 0 HA TYR B 22 42.137 -2.071 -14.145 1.00 0.00 H new ATOM 0 HB2 TYR B 22 40.696 0.581 -14.010 1.00 0.00 H new ATOM 0 HB3 TYR B 22 41.549 0.224 -15.499 1.00 0.00 H new ATOM 0 HD1 TYR B 22 40.988 -1.851 -16.808 1.00 0.00 H new ATOM 0 HD2 TYR B 22 38.709 -0.663 -13.366 1.00 0.00 H new ATOM 0 HE1 TYR B 22 39.154 -3.368 -17.500 1.00 0.00 H new ATOM 0 HE2 TYR B 22 36.876 -2.182 -14.058 1.00 0.00 H new ATOM 0 HH TYR B 22 36.143 -3.662 -15.561 1.00 0.00 H new ATOM 654 N GLY B 23 43.913 0.567 -13.331 1.00 0.00 N ATOM 655 CA GLY B 23 45.216 1.195 -13.497 1.00 0.00 C ATOM 656 C GLY B 23 46.327 0.271 -13.019 1.00 0.00 C ATOM 657 O GLY B 23 46.723 0.311 -11.855 1.00 0.00 O ATOM 0 H GLY B 23 43.332 0.977 -12.600 1.00 0.00 H new ATOM 0 HA2 GLY B 23 45.372 1.446 -14.546 1.00 0.00 H new ATOM 0 HA3 GLY B 23 45.248 2.130 -12.937 1.00 0.00 H new ATOM 661 N SER B 24 46.829 -0.562 -13.926 1.00 0.00 N ATOM 662 CA SER B 24 47.898 -1.493 -13.585 1.00 0.00 C ATOM 663 C SER B 24 49.055 -0.758 -12.915 1.00 0.00 C ATOM 664 O SER B 24 49.074 0.462 -12.981 1.00 0.00 O ATOM 665 CB SER B 24 48.400 -2.194 -14.843 1.00 0.00 C ATOM 666 OG SER B 24 49.539 -2.987 -14.519 1.00 0.00 O ATOM 0 H SER B 24 46.515 -0.611 -14.895 1.00 0.00 H new ATOM 0 HA SER B 24 47.501 -2.233 -12.891 1.00 0.00 H new ATOM 0 HB2 SER B 24 47.613 -2.821 -15.262 1.00 0.00 H new ATOM 0 HB3 SER B 24 48.660 -1.458 -15.604 1.00 0.00 H new ATOM 0 HG SER B 24 49.862 -3.440 -15.326 1.00 0.00 H new TER 672 SER B 24 ATOM 673 N GLY C 1 3.809 -3.238 5.914 1.00 0.00 N ATOM 674 CA GLY C 1 3.555 -4.526 5.208 1.00 0.00 C ATOM 675 C GLY C 1 2.154 -4.512 4.622 1.00 0.00 C ATOM 676 O GLY C 1 1.809 -3.630 3.842 1.00 0.00 O ATOM 0 H1 GLY C 1 4.768 -3.246 6.316 1.00 0.00 H new ATOM 0 H2 GLY C 1 3.722 -2.450 5.241 1.00 0.00 H new ATOM 0 H3 GLY C 1 3.114 -3.118 6.679 1.00 0.00 H new ATOM 0 HA2 GLY C 1 4.291 -4.671 4.417 1.00 0.00 H new ATOM 0 HA3 GLY C 1 3.663 -5.361 5.901 1.00 0.00 H new ATOM 682 N LEU C 2 1.348 -5.495 5.002 1.00 0.00 N ATOM 683 CA LEU C 2 -0.018 -5.580 4.498 1.00 0.00 C ATOM 684 C LEU C 2 -0.784 -4.292 4.807 1.00 0.00 C ATOM 685 O LEU C 2 -1.306 -3.636 3.905 1.00 0.00 O ATOM 686 CB LEU C 2 -0.739 -6.782 5.148 1.00 0.00 C ATOM 687 CG LEU C 2 -2.241 -6.755 4.794 1.00 0.00 C ATOM 688 CD1 LEU C 2 -2.414 -6.724 3.270 1.00 0.00 C ATOM 689 CD2 LEU C 2 -2.915 -8.012 5.360 1.00 0.00 C ATOM 0 H LEU C 2 1.611 -6.237 5.650 1.00 0.00 H new ATOM 0 HA LEU C 2 0.016 -5.716 3.417 1.00 0.00 H new ATOM 0 HB2 LEU C 2 -0.293 -7.714 4.802 1.00 0.00 H new ATOM 0 HB3 LEU C 2 -0.612 -6.750 6.230 1.00 0.00 H new ATOM 0 HG LEU C 2 -2.700 -5.865 5.225 1.00 0.00 H new ATOM 0 HD11 LEU C 2 -3.476 -6.705 3.025 1.00 0.00 H new ATOM 0 HD12 LEU C 2 -1.933 -5.833 2.867 1.00 0.00 H new ATOM 0 HD13 LEU C 2 -1.957 -7.612 2.834 1.00 0.00 H new ATOM 0 HD21 LEU C 2 -3.977 -7.998 5.113 1.00 0.00 H new ATOM 0 HD22 LEU C 2 -2.453 -8.899 4.927 1.00 0.00 H new ATOM 0 HD23 LEU C 2 -2.795 -8.033 6.443 1.00 0.00 H new ATOM 701 N PHE C 3 -0.850 -3.943 6.082 1.00 0.00 N ATOM 702 CA PHE C 3 -1.556 -2.740 6.496 1.00 0.00 C ATOM 703 C PHE C 3 -0.876 -1.500 5.930 1.00 0.00 C ATOM 704 O PHE C 3 -1.541 -0.567 5.474 1.00 0.00 O ATOM 705 CB PHE C 3 -1.594 -2.653 8.022 1.00 0.00 C ATOM 706 CG PHE C 3 -2.276 -3.888 8.581 1.00 0.00 C ATOM 707 CD1 PHE C 3 -3.650 -4.074 8.393 1.00 0.00 C ATOM 708 CD2 PHE C 3 -1.529 -4.845 9.287 1.00 0.00 C ATOM 709 CE1 PHE C 3 -4.280 -5.215 8.908 1.00 0.00 C ATOM 710 CE2 PHE C 3 -2.160 -5.984 9.802 1.00 0.00 C ATOM 711 CZ PHE C 3 -3.534 -6.169 9.612 1.00 0.00 C ATOM 0 H PHE C 3 -0.426 -4.472 6.844 1.00 0.00 H new ATOM 0 HA PHE C 3 -2.575 -2.790 6.112 1.00 0.00 H new ATOM 0 HB2 PHE C 3 -0.582 -2.573 8.418 1.00 0.00 H new ATOM 0 HB3 PHE C 3 -2.130 -1.756 8.333 1.00 0.00 H new ATOM 0 HD1 PHE C 3 -4.225 -3.338 7.851 1.00 0.00 H new ATOM 0 HD2 PHE C 3 -0.468 -4.703 9.433 1.00 0.00 H new ATOM 0 HE1 PHE C 3 -5.340 -5.359 8.762 1.00 0.00 H new ATOM 0 HE2 PHE C 3 -1.586 -6.720 10.346 1.00 0.00 H new ATOM 0 HZ PHE C 3 -4.020 -7.048 10.009 1.00 0.00 H new ATOM 721 N GLY C 4 0.453 -1.493 5.964 1.00 0.00 N ATOM 722 CA GLY C 4 1.214 -0.361 5.454 1.00 0.00 C ATOM 723 C GLY C 4 1.005 -0.194 3.954 1.00 0.00 C ATOM 724 O GLY C 4 0.979 0.924 3.442 1.00 0.00 O ATOM 0 H GLY C 4 1.021 -2.254 6.337 1.00 0.00 H new ATOM 0 HA2 GLY C 4 0.909 0.549 5.971 1.00 0.00 H new ATOM 0 HA3 GLY C 4 2.274 -0.507 5.663 1.00 0.00 H new ATOM 728 N ALA C 5 0.862 -1.314 3.251 1.00 0.00 N ATOM 729 CA ALA C 5 0.662 -1.274 1.806 1.00 0.00 C ATOM 730 C ALA C 5 -0.648 -0.584 1.463 1.00 0.00 C ATOM 731 O ALA C 5 -0.705 0.232 0.549 1.00 0.00 O ATOM 732 CB ALA C 5 0.658 -2.691 1.234 1.00 0.00 C ATOM 0 H ALA C 5 0.881 -2.251 3.653 1.00 0.00 H new ATOM 0 HA ALA C 5 1.483 -0.709 1.366 1.00 0.00 H new ATOM 0 HB1 ALA C 5 0.508 -2.647 0.155 1.00 0.00 H new ATOM 0 HB2 ALA C 5 1.612 -3.173 1.449 1.00 0.00 H new ATOM 0 HB3 ALA C 5 -0.149 -3.265 1.690 1.00 0.00 H new ATOM 738 N ILE C 6 -1.695 -0.914 2.198 1.00 0.00 N ATOM 739 CA ILE C 6 -3.001 -0.314 1.957 1.00 0.00 C ATOM 740 C ILE C 6 -2.932 1.195 2.163 1.00 0.00 C ATOM 741 O ILE C 6 -3.467 1.968 1.366 1.00 0.00 O ATOM 742 CB ILE C 6 -4.039 -0.920 2.913 1.00 0.00 C ATOM 743 CG1 ILE C 6 -4.231 -2.410 2.578 1.00 0.00 C ATOM 744 CG2 ILE C 6 -5.380 -0.188 2.754 1.00 0.00 C ATOM 745 CD1 ILE C 6 -5.011 -3.097 3.708 1.00 0.00 C ATOM 0 H ILE C 6 -1.670 -1.589 2.962 1.00 0.00 H new ATOM 0 HA ILE C 6 -3.297 -0.519 0.928 1.00 0.00 H new ATOM 0 HB ILE C 6 -3.689 -0.815 3.940 1.00 0.00 H new ATOM 0 HG12 ILE C 6 -4.769 -2.515 1.636 1.00 0.00 H new ATOM 0 HG13 ILE C 6 -3.262 -2.891 2.447 1.00 0.00 H new ATOM 0 HG21 ILE C 6 -6.114 -0.621 3.434 1.00 0.00 H new ATOM 0 HG22 ILE C 6 -5.248 0.868 2.988 1.00 0.00 H new ATOM 0 HG23 ILE C 6 -5.731 -0.291 1.727 1.00 0.00 H new ATOM 0 HD11 ILE C 6 -5.146 -4.152 3.468 1.00 0.00 H new ATOM 0 HD12 ILE C 6 -4.456 -3.005 4.642 1.00 0.00 H new ATOM 0 HD13 ILE C 6 -5.986 -2.623 3.818 1.00 0.00 H new ATOM 757 N ALA C 7 -2.270 1.603 3.231 1.00 0.00 N ATOM 758 CA ALA C 7 -2.133 3.028 3.535 1.00 0.00 C ATOM 759 C ALA C 7 -1.269 3.715 2.474 1.00 0.00 C ATOM 760 O ALA C 7 -1.597 4.804 2.003 1.00 0.00 O ATOM 761 CB ALA C 7 -1.500 3.214 4.937 1.00 0.00 C ATOM 0 H ALA C 7 -1.820 0.979 3.901 1.00 0.00 H new ATOM 0 HA ALA C 7 -3.123 3.484 3.530 1.00 0.00 H new ATOM 0 HB1 ALA C 7 -1.402 4.278 5.154 1.00 0.00 H new ATOM 0 HB2 ALA C 7 -2.137 2.747 5.689 1.00 0.00 H new ATOM 0 HB3 ALA C 7 -0.515 2.748 4.956 1.00 0.00 H new ATOM 767 N ALA C 8 -0.175 3.069 2.105 1.00 0.00 N ATOM 768 CA ALA C 8 0.723 3.621 1.100 1.00 0.00 C ATOM 769 C ALA C 8 0.069 3.586 -0.283 1.00 0.00 C ATOM 770 O ALA C 8 0.366 4.418 -1.139 1.00 0.00 O ATOM 771 CB ALA C 8 2.033 2.825 1.076 1.00 0.00 C ATOM 0 H ALA C 8 0.113 2.166 2.483 1.00 0.00 H new ATOM 0 HA ALA C 8 0.936 4.658 1.358 1.00 0.00 H new ATOM 0 HB1 ALA C 8 2.699 3.244 0.322 1.00 0.00 H new ATOM 0 HB2 ALA C 8 2.511 2.881 2.054 1.00 0.00 H new ATOM 0 HB3 ALA C 8 1.821 1.783 0.835 1.00 0.00 H new ATOM 777 N PHE C 9 -0.823 2.620 -0.489 1.00 0.00 N ATOM 778 CA PHE C 9 -1.517 2.485 -1.763 1.00 0.00 C ATOM 779 C PHE C 9 -2.442 3.668 -2.008 1.00 0.00 C ATOM 780 O PHE C 9 -2.550 4.162 -3.130 1.00 0.00 O ATOM 781 CB PHE C 9 -2.339 1.192 -1.766 1.00 0.00 C ATOM 782 CG PHE C 9 -2.982 1.005 -3.127 1.00 0.00 C ATOM 783 CD1 PHE C 9 -2.181 0.768 -4.251 1.00 0.00 C ATOM 784 CD2 PHE C 9 -4.378 1.067 -3.263 1.00 0.00 C ATOM 785 CE1 PHE C 9 -2.771 0.596 -5.507 1.00 0.00 C ATOM 786 CE2 PHE C 9 -4.966 0.894 -4.519 1.00 0.00 C ATOM 787 CZ PHE C 9 -4.164 0.658 -5.641 1.00 0.00 C ATOM 0 H PHE C 9 -1.080 1.922 0.209 1.00 0.00 H new ATOM 0 HA PHE C 9 -0.771 2.456 -2.557 1.00 0.00 H new ATOM 0 HB2 PHE C 9 -1.699 0.341 -1.534 1.00 0.00 H new ATOM 0 HB3 PHE C 9 -3.106 1.234 -0.992 1.00 0.00 H new ATOM 0 HD1 PHE C 9 -1.107 0.718 -4.148 1.00 0.00 H new ATOM 0 HD2 PHE C 9 -4.997 1.248 -2.397 1.00 0.00 H new ATOM 0 HE1 PHE C 9 -2.153 0.415 -6.374 1.00 0.00 H new ATOM 0 HE2 PHE C 9 -6.040 0.942 -4.624 1.00 0.00 H new ATOM 0 HZ PHE C 9 -4.619 0.524 -6.611 1.00 0.00 H new ATOM 797 N ILE C 10 -3.117 4.117 -0.949 1.00 0.00 N ATOM 798 CA ILE C 10 -4.043 5.244 -1.065 1.00 0.00 C ATOM 799 C ILE C 10 -3.300 6.572 -1.008 1.00 0.00 C ATOM 800 O ILE C 10 -3.612 7.493 -1.761 1.00 0.00 O ATOM 801 CB ILE C 10 -5.082 5.190 0.063 1.00 0.00 C ATOM 802 CG1 ILE C 10 -5.960 3.939 -0.118 1.00 0.00 C ATOM 803 CG2 ILE C 10 -5.972 6.465 0.018 1.00 0.00 C ATOM 804 CD1 ILE C 10 -6.820 3.736 1.126 1.00 0.00 C ATOM 0 H ILE C 10 -3.042 3.723 -0.011 1.00 0.00 H new ATOM 0 HA ILE C 10 -4.545 5.168 -2.029 1.00 0.00 H new ATOM 0 HB ILE C 10 -4.573 5.144 1.026 1.00 0.00 H new ATOM 0 HG12 ILE C 10 -6.594 4.051 -0.997 1.00 0.00 H new ATOM 0 HG13 ILE C 10 -5.333 3.063 -0.287 1.00 0.00 H new ATOM 0 HG21 ILE C 10 -6.709 6.423 0.820 1.00 0.00 H new ATOM 0 HG22 ILE C 10 -5.347 7.349 0.145 1.00 0.00 H new ATOM 0 HG23 ILE C 10 -6.485 6.517 -0.943 1.00 0.00 H new ATOM 0 HD11 ILE C 10 -7.442 2.850 0.998 1.00 0.00 H new ATOM 0 HD12 ILE C 10 -6.176 3.605 1.996 1.00 0.00 H new ATOM 0 HD13 ILE C 10 -7.457 4.608 1.274 1.00 0.00 H new ATOM 816 N GLU C 11 -2.324 6.677 -0.112 1.00 0.00 N ATOM 817 CA GLU C 11 -1.564 7.912 0.021 1.00 0.00 C ATOM 818 C GLU C 11 -1.009 8.350 -1.335 1.00 0.00 C ATOM 819 O GLU C 11 -1.003 9.538 -1.659 1.00 0.00 O ATOM 820 CB GLU C 11 -0.394 7.705 1.033 1.00 0.00 C ATOM 821 CG GLU C 11 -0.630 8.553 2.292 1.00 0.00 C ATOM 822 CD GLU C 11 -1.878 8.066 3.023 1.00 0.00 C ATOM 823 OE1 GLU C 11 -2.027 6.862 3.164 1.00 0.00 O ATOM 824 OE2 GLU C 11 -2.667 8.903 3.430 1.00 0.00 O ATOM 0 H GLU C 11 -2.044 5.931 0.525 1.00 0.00 H new ATOM 0 HA GLU C 11 -2.228 8.693 0.392 1.00 0.00 H new ATOM 0 HB2 GLU C 11 -0.318 6.652 1.303 1.00 0.00 H new ATOM 0 HB3 GLU C 11 0.552 7.984 0.569 1.00 0.00 H new ATOM 0 HG2 GLU C 11 0.236 8.489 2.951 1.00 0.00 H new ATOM 0 HG3 GLU C 11 -0.745 9.602 2.018 1.00 0.00 H new ATOM 831 N GLY C 12 -0.538 7.386 -2.115 1.00 0.00 N ATOM 832 CA GLY C 12 0.022 7.688 -3.424 1.00 0.00 C ATOM 833 C GLY C 12 -1.065 8.139 -4.385 1.00 0.00 C ATOM 834 O GLY C 12 -0.814 8.336 -5.572 1.00 0.00 O ATOM 0 H GLY C 12 -0.532 6.397 -1.866 1.00 0.00 H new ATOM 0 HA2 GLY C 12 0.777 8.468 -3.330 1.00 0.00 H new ATOM 0 HA3 GLY C 12 0.523 6.806 -3.823 1.00 0.00 H new ATOM 838 N GLY C 13 -2.275 8.307 -3.862 1.00 0.00 N ATOM 839 CA GLY C 13 -3.398 8.743 -4.684 1.00 0.00 C ATOM 840 C GLY C 13 -3.809 7.658 -5.673 1.00 0.00 C ATOM 841 O GLY C 13 -3.193 7.500 -6.725 1.00 0.00 O ATOM 0 H GLY C 13 -2.502 8.149 -2.880 1.00 0.00 H new ATOM 0 HA2 GLY C 13 -4.244 8.996 -4.045 1.00 0.00 H new ATOM 0 HA3 GLY C 13 -3.126 9.649 -5.226 1.00 0.00 H new ATOM 845 N TRP C 14 -4.853 6.919 -5.328 1.00 0.00 N ATOM 846 CA TRP C 14 -5.340 5.852 -6.192 1.00 0.00 C ATOM 847 C TRP C 14 -5.703 6.408 -7.577 1.00 0.00 C ATOM 848 O TRP C 14 -5.678 5.686 -8.574 1.00 0.00 O ATOM 849 CB TRP C 14 -6.574 5.181 -5.551 1.00 0.00 C ATOM 850 CG TRP C 14 -7.793 6.023 -5.791 1.00 0.00 C ATOM 851 CD1 TRP C 14 -7.857 7.363 -5.628 1.00 0.00 C ATOM 852 CD2 TRP C 14 -9.108 5.600 -6.235 1.00 0.00 C ATOM 853 NE1 TRP C 14 -9.136 7.788 -5.947 1.00 0.00 N ATOM 854 CE2 TRP C 14 -9.942 6.733 -6.327 1.00 0.00 C ATOM 855 CE3 TRP C 14 -9.653 4.346 -6.564 1.00 0.00 C ATOM 856 CZ2 TRP C 14 -11.268 6.636 -6.731 1.00 0.00 C ATOM 857 CZ3 TRP C 14 -10.999 4.243 -6.975 1.00 0.00 C ATOM 858 CH2 TRP C 14 -11.801 5.392 -7.056 1.00 0.00 C ATOM 0 H TRP C 14 -5.377 7.037 -4.461 1.00 0.00 H new ATOM 0 HA TRP C 14 -4.551 5.110 -6.312 1.00 0.00 H new ATOM 0 HB2 TRP C 14 -6.719 4.187 -5.973 1.00 0.00 H new ATOM 0 HB3 TRP C 14 -6.414 5.053 -4.480 1.00 0.00 H new ATOM 0 HD1 TRP C 14 -7.046 7.997 -5.303 1.00 0.00 H new ATOM 0 HE1 TRP C 14 -9.444 8.759 -5.906 1.00 0.00 H new ATOM 0 HE3 TRP C 14 -9.040 3.459 -6.502 1.00 0.00 H new ATOM 0 HZ2 TRP C 14 -11.882 7.522 -6.793 1.00 0.00 H new ATOM 0 HZ3 TRP C 14 -11.413 3.278 -7.228 1.00 0.00 H new ATOM 0 HH2 TRP C 14 -12.831 5.311 -7.370 1.00 0.00 H new ATOM 869 N THR C 15 -6.042 7.700 -7.621 1.00 0.00 N ATOM 870 CA THR C 15 -6.410 8.346 -8.882 1.00 0.00 C ATOM 871 C THR C 15 -5.154 8.742 -9.665 1.00 0.00 C ATOM 872 O THR C 15 -5.184 8.865 -10.891 1.00 0.00 O ATOM 873 CB THR C 15 -7.259 9.605 -8.600 1.00 0.00 C ATOM 874 OG1 THR C 15 -8.160 9.337 -7.536 1.00 0.00 O ATOM 875 CG2 THR C 15 -8.051 9.986 -9.853 1.00 0.00 C ATOM 0 H THR C 15 -6.069 8.313 -6.806 1.00 0.00 H new ATOM 0 HA THR C 15 -6.991 7.641 -9.476 1.00 0.00 H new ATOM 0 HB THR C 15 -6.601 10.429 -8.325 1.00 0.00 H new ATOM 0 HG1 THR C 15 -8.165 8.376 -7.345 1.00 0.00 H new ATOM 0 HG21 THR C 15 -8.649 10.875 -9.650 1.00 0.00 H new ATOM 0 HG22 THR C 15 -7.361 10.192 -10.671 1.00 0.00 H new ATOM 0 HG23 THR C 15 -8.709 9.163 -10.132 1.00 0.00 H new ATOM 883 N GLY C 16 -4.061 8.938 -8.943 1.00 0.00 N ATOM 884 CA GLY C 16 -2.799 9.322 -9.572 1.00 0.00 C ATOM 885 C GLY C 16 -2.321 8.237 -10.531 1.00 0.00 C ATOM 886 O GLY C 16 -2.025 8.510 -11.694 1.00 0.00 O ATOM 0 H GLY C 16 -4.018 8.839 -7.929 1.00 0.00 H new ATOM 0 HA2 GLY C 16 -2.927 10.260 -10.112 1.00 0.00 H new ATOM 0 HA3 GLY C 16 -2.043 9.495 -8.806 1.00 0.00 H new ATOM 890 N MET C 17 -2.243 7.009 -10.034 1.00 0.00 N ATOM 891 CA MET C 17 -1.793 5.888 -10.858 1.00 0.00 C ATOM 892 C MET C 17 -2.704 5.708 -12.069 1.00 0.00 C ATOM 893 O MET C 17 -2.231 5.525 -13.191 1.00 0.00 O ATOM 894 CB MET C 17 -1.786 4.605 -10.029 1.00 0.00 C ATOM 895 CG MET C 17 -1.255 3.449 -10.880 1.00 0.00 C ATOM 896 SD MET C 17 -1.020 1.988 -9.832 1.00 0.00 S ATOM 897 CE MET C 17 -2.752 1.763 -9.359 1.00 0.00 C ATOM 0 H MET C 17 -2.482 6.762 -9.074 1.00 0.00 H new ATOM 0 HA MET C 17 -0.783 6.102 -11.209 1.00 0.00 H new ATOM 0 HB2 MET C 17 -1.163 4.735 -9.144 1.00 0.00 H new ATOM 0 HB3 MET C 17 -2.794 4.380 -9.679 1.00 0.00 H new ATOM 0 HG2 MET C 17 -1.955 3.224 -11.685 1.00 0.00 H new ATOM 0 HG3 MET C 17 -0.311 3.730 -11.347 1.00 0.00 H new ATOM 0 HE1 MET C 17 -2.979 0.698 -9.304 1.00 0.00 H new ATOM 0 HE2 MET C 17 -2.926 2.222 -8.386 1.00 0.00 H new ATOM 0 HE3 MET C 17 -3.396 2.233 -10.102 1.00 0.00 H new ATOM 907 N ILE C 18 -4.011 5.760 -11.837 1.00 0.00 N ATOM 908 CA ILE C 18 -4.975 5.596 -12.917 1.00 0.00 C ATOM 909 C ILE C 18 -4.771 6.675 -13.976 1.00 0.00 C ATOM 910 O ILE C 18 -4.759 6.387 -15.171 1.00 0.00 O ATOM 911 CB ILE C 18 -6.399 5.686 -12.360 1.00 0.00 C ATOM 912 CG1 ILE C 18 -6.629 4.534 -11.368 1.00 0.00 C ATOM 913 CG2 ILE C 18 -7.413 5.572 -13.510 1.00 0.00 C ATOM 914 CD1 ILE C 18 -7.952 4.747 -10.617 1.00 0.00 C ATOM 0 H ILE C 18 -4.425 5.913 -10.917 1.00 0.00 H new ATOM 0 HA ILE C 18 -4.826 4.618 -13.374 1.00 0.00 H new ATOM 0 HB ILE C 18 -6.530 6.643 -11.854 1.00 0.00 H new ATOM 0 HG12 ILE C 18 -6.652 3.583 -11.900 1.00 0.00 H new ATOM 0 HG13 ILE C 18 -5.803 4.482 -10.659 1.00 0.00 H new ATOM 0 HG21 ILE C 18 -8.425 5.636 -13.110 1.00 0.00 H new ATOM 0 HG22 ILE C 18 -7.251 6.383 -14.220 1.00 0.00 H new ATOM 0 HG23 ILE C 18 -7.283 4.615 -14.016 1.00 0.00 H new ATOM 0 HD11 ILE C 18 -8.109 3.927 -9.916 1.00 0.00 H new ATOM 0 HD12 ILE C 18 -7.913 5.689 -10.070 1.00 0.00 H new ATOM 0 HD13 ILE C 18 -8.775 4.776 -11.331 1.00 0.00 H new ATOM 926 N ASP C 19 -4.610 7.913 -13.524 1.00 0.00 N ATOM 927 CA ASP C 19 -4.407 9.028 -14.440 1.00 0.00 C ATOM 928 C ASP C 19 -3.214 8.760 -15.349 1.00 0.00 C ATOM 929 O ASP C 19 -3.298 8.931 -16.564 1.00 0.00 O ATOM 930 CB ASP C 19 -4.167 10.316 -13.647 1.00 0.00 C ATOM 931 CG ASP C 19 -3.950 11.484 -14.603 1.00 0.00 C ATOM 932 OD1 ASP C 19 -4.683 11.572 -15.574 1.00 0.00 O ATOM 933 OD2 ASP C 19 -3.056 12.274 -14.349 1.00 0.00 O ATOM 0 H ASP C 19 -4.616 8.169 -12.537 1.00 0.00 H new ATOM 0 HA ASP C 19 -5.301 9.140 -15.054 1.00 0.00 H new ATOM 0 HB2 ASP C 19 -5.020 10.519 -13.000 1.00 0.00 H new ATOM 0 HB3 ASP C 19 -3.297 10.198 -13.000 1.00 0.00 H new ATOM 938 N GLY C 20 -2.108 8.338 -14.754 1.00 0.00 N ATOM 939 CA GLY C 20 -0.905 8.048 -15.520 1.00 0.00 C ATOM 940 C GLY C 20 -1.134 6.884 -16.472 1.00 0.00 C ATOM 941 O GLY C 20 -0.615 6.874 -17.589 1.00 0.00 O ATOM 0 H GLY C 20 -2.018 8.189 -13.749 1.00 0.00 H new ATOM 0 HA2 GLY C 20 -0.607 8.931 -16.085 1.00 0.00 H new ATOM 0 HA3 GLY C 20 -0.085 7.812 -14.841 1.00 0.00 H new ATOM 945 N TRP C 21 -1.912 5.901 -16.027 1.00 0.00 N ATOM 946 CA TRP C 21 -2.200 4.735 -16.858 1.00 0.00 C ATOM 947 C TRP C 21 -2.862 5.173 -18.166 1.00 0.00 C ATOM 948 O TRP C 21 -2.386 4.851 -19.255 1.00 0.00 O ATOM 949 CB TRP C 21 -3.133 3.765 -16.093 1.00 0.00 C ATOM 950 CG TRP C 21 -2.825 2.349 -16.478 1.00 0.00 C ATOM 951 CD1 TRP C 21 -2.431 1.943 -17.705 1.00 0.00 C ATOM 952 CD2 TRP C 21 -2.879 1.160 -15.651 1.00 0.00 C ATOM 953 NE1 TRP C 21 -2.240 0.573 -17.680 1.00 0.00 N ATOM 954 CE2 TRP C 21 -2.505 0.047 -16.432 1.00 0.00 C ATOM 955 CE3 TRP C 21 -3.216 0.941 -14.300 1.00 0.00 C ATOM 956 CZ2 TRP C 21 -2.463 -1.237 -15.903 1.00 0.00 C ATOM 957 CZ3 TRP C 21 -3.175 -0.361 -13.761 1.00 0.00 C ATOM 958 CH2 TRP C 21 -2.798 -1.446 -14.567 1.00 0.00 C ATOM 0 H TRP C 21 -2.350 5.887 -15.106 1.00 0.00 H new ATOM 0 HA TRP C 21 -1.265 4.224 -17.090 1.00 0.00 H new ATOM 0 HB2 TRP C 21 -3.004 3.895 -15.018 1.00 0.00 H new ATOM 0 HB3 TRP C 21 -4.174 3.994 -16.319 1.00 0.00 H new ATOM 0 HD1 TRP C 21 -2.289 2.582 -18.564 1.00 0.00 H new ATOM 0 HE1 TRP C 21 -1.941 0.021 -18.484 1.00 0.00 H new ATOM 0 HE3 TRP C 21 -3.507 1.773 -13.676 1.00 0.00 H new ATOM 0 HZ2 TRP C 21 -2.172 -2.070 -16.525 1.00 0.00 H new ATOM 0 HZ3 TRP C 21 -3.434 -0.524 -12.725 1.00 0.00 H new ATOM 0 HH2 TRP C 21 -2.768 -2.443 -14.152 1.00 0.00 H new ATOM 969 N TYR C 22 -3.957 5.914 -18.048 1.00 0.00 N ATOM 970 CA TYR C 22 -4.671 6.396 -19.223 1.00 0.00 C ATOM 971 C TYR C 22 -3.788 7.349 -20.026 1.00 0.00 C ATOM 972 O TYR C 22 -3.812 7.345 -21.258 1.00 0.00 O ATOM 973 CB TYR C 22 -5.966 7.117 -18.790 1.00 0.00 C ATOM 974 CG TYR C 22 -7.066 6.099 -18.563 1.00 0.00 C ATOM 975 CD1 TYR C 22 -7.880 5.702 -19.629 1.00 0.00 C ATOM 976 CD2 TYR C 22 -7.268 5.557 -17.289 1.00 0.00 C ATOM 977 CE1 TYR C 22 -8.895 4.762 -19.422 1.00 0.00 C ATOM 978 CE2 TYR C 22 -8.283 4.617 -17.081 1.00 0.00 C ATOM 979 CZ TYR C 22 -9.097 4.219 -18.147 1.00 0.00 C ATOM 980 OH TYR C 22 -10.099 3.293 -17.943 1.00 0.00 O ATOM 0 H TYR C 22 -4.368 6.193 -17.157 1.00 0.00 H new ATOM 0 HA TYR C 22 -4.928 5.544 -19.852 1.00 0.00 H new ATOM 0 HB2 TYR C 22 -5.789 7.685 -17.877 1.00 0.00 H new ATOM 0 HB3 TYR C 22 -6.270 7.831 -19.556 1.00 0.00 H new ATOM 0 HD1 TYR C 22 -7.725 6.121 -20.612 1.00 0.00 H new ATOM 0 HD2 TYR C 22 -6.640 5.864 -16.466 1.00 0.00 H new ATOM 0 HE1 TYR C 22 -9.523 4.455 -20.245 1.00 0.00 H new ATOM 0 HE2 TYR C 22 -8.438 4.199 -16.098 1.00 0.00 H new ATOM 0 HH TYR C 22 -10.103 3.017 -17.003 1.00 0.00 H new ATOM 990 N GLY C 23 -3.012 8.162 -19.320 1.00 0.00 N ATOM 991 CA GLY C 23 -2.126 9.114 -19.976 1.00 0.00 C ATOM 992 C GLY C 23 -0.972 8.395 -20.664 1.00 0.00 C ATOM 993 O GLY C 23 0.063 8.133 -20.051 1.00 0.00 O ATOM 0 H GLY C 23 -2.978 8.181 -18.301 1.00 0.00 H new ATOM 0 HA2 GLY C 23 -2.687 9.694 -20.708 1.00 0.00 H new ATOM 0 HA3 GLY C 23 -1.735 9.819 -19.242 1.00 0.00 H new ATOM 997 N SER C 24 -1.158 8.079 -21.942 1.00 0.00 N ATOM 998 CA SER C 24 -0.123 7.389 -22.707 1.00 0.00 C ATOM 999 C SER C 24 1.153 8.231 -22.760 1.00 0.00 C ATOM 1000 O SER C 24 2.225 7.649 -22.728 1.00 0.00 O ATOM 1001 CB SER C 24 -0.624 7.114 -24.133 1.00 0.00 C ATOM 1002 OG SER C 24 0.475 7.181 -25.044 1.00 0.00 O ATOM 0 H SER C 24 -2.008 8.287 -22.467 1.00 0.00 H new ATOM 0 HA SER C 24 0.102 6.443 -22.215 1.00 0.00 H new ATOM 0 HB2 SER C 24 -1.092 6.131 -24.182 1.00 0.00 H new ATOM 0 HB3 SER C 24 -1.385 7.844 -24.410 1.00 0.00 H new ATOM 0 HG SER C 24 0.157 7.004 -25.954 1.00 0.00 H new TER 1008 SER C 24