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= 0.0178 USER MOD Single : A 17 MET CE :methyl 158:sc= -0.329 (180deg=-1.58) 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+ -121:sc= 0.13 (180deg=0) USER MOD Single : B 15 THR OG1 : rot -49:sc= -6.71! 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+ -156:sc= 0.00995 (180deg=0) USER MOD Single : C 15 THR OG1 : rot -16:sc= -0.113! USER MOD Single : C 17 MET CE :methyl 180:sc= 0 (180deg=0) 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 18.356 -3.676 7.103 1.00 0.00 N ATOM 2 CA GLY A 1 18.463 -4.481 5.851 1.00 0.00 C ATOM 3 C GLY A 1 17.098 -4.565 5.185 1.00 0.00 C ATOM 4 O GLY A 1 16.877 -3.982 4.126 1.00 0.00 O ATOM 0 H1 GLY A 1 19.289 -3.618 7.559 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.023 -2.718 6.872 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.681 -4.130 7.751 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.183 -4.024 5.172 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.830 -5.481 6.079 1.00 0.00 H new ATOM 10 N LEU A 2 16.183 -5.300 5.818 1.00 0.00 N ATOM 11 CA LEU A 2 14.840 -5.456 5.280 1.00 0.00 C ATOM 12 C LEU A 2 14.125 -4.108 5.243 1.00 0.00 C ATOM 13 O LEU A 2 13.689 -3.652 4.181 1.00 0.00 O ATOM 14 CB LEU A 2 14.040 -6.444 6.152 1.00 0.00 C ATOM 15 CG LEU A 2 12.700 -6.810 5.449 1.00 0.00 C ATOM 16 CD1 LEU A 2 12.917 -8.001 4.507 1.00 0.00 C ATOM 17 CD2 LEU A 2 11.652 -7.187 6.507 1.00 0.00 C ATOM 0 H LEU A 2 16.349 -5.791 6.696 1.00 0.00 H new ATOM 0 HA LEU A 2 14.912 -5.846 4.265 1.00 0.00 H new ATOM 0 HB2 LEU A 2 14.627 -7.346 6.326 1.00 0.00 H new ATOM 0 HB3 LEU A 2 13.839 -6.001 7.127 1.00 0.00 H new ATOM 0 HG LEU A 2 12.351 -5.952 4.875 1.00 0.00 H new ATOM 0 HD11 LEU A 2 11.977 -8.254 4.017 1.00 0.00 H new ATOM 0 HD12 LEU A 2 13.659 -7.738 3.753 1.00 0.00 H new ATOM 0 HD13 LEU A 2 13.269 -8.859 5.080 1.00 0.00 H new ATOM 0 HD21 LEU A 2 10.714 -7.443 6.015 1.00 0.00 H new ATOM 0 HD22 LEU A 2 12.006 -8.043 7.081 1.00 0.00 H new ATOM 0 HD23 LEU A 2 11.491 -6.342 7.177 1.00 0.00 H new ATOM 29 N PHE A 3 14.012 -3.472 6.401 1.00 0.00 N ATOM 30 CA PHE A 3 13.353 -2.176 6.484 1.00 0.00 C ATOM 31 C PHE A 3 14.174 -1.121 5.757 1.00 0.00 C ATOM 32 O PHE A 3 13.625 -0.261 5.071 1.00 0.00 O ATOM 33 CB PHE A 3 13.166 -1.767 7.945 1.00 0.00 C ATOM 34 CG PHE A 3 12.264 -2.767 8.640 1.00 0.00 C ATOM 35 CD1 PHE A 3 10.879 -2.716 8.442 1.00 0.00 C ATOM 36 CD2 PHE A 3 12.815 -3.742 9.483 1.00 0.00 C ATOM 37 CE1 PHE A 3 10.045 -3.640 9.086 1.00 0.00 C ATOM 38 CE2 PHE A 3 11.982 -4.664 10.126 1.00 0.00 C ATOM 39 CZ PHE A 3 10.598 -4.613 9.928 1.00 0.00 C ATOM 0 H PHE A 3 14.365 -3.829 7.289 1.00 0.00 H new ATOM 0 HA PHE A 3 12.375 -2.256 6.010 1.00 0.00 H new ATOM 0 HB2 PHE A 3 14.132 -1.723 8.448 1.00 0.00 H new ATOM 0 HB3 PHE A 3 12.731 -0.769 8.001 1.00 0.00 H new ATOM 0 HD1 PHE A 3 10.453 -1.965 7.793 1.00 0.00 H new ATOM 0 HD2 PHE A 3 13.883 -3.782 9.636 1.00 0.00 H new ATOM 0 HE1 PHE A 3 8.977 -3.602 8.933 1.00 0.00 H new ATOM 0 HE2 PHE A 3 12.407 -5.415 10.775 1.00 0.00 H new ATOM 0 HZ PHE A 3 9.955 -5.325 10.425 1.00 0.00 H new ATOM 49 N GLY A 4 15.491 -1.191 5.907 1.00 0.00 N ATOM 50 CA GLY A 4 16.371 -0.233 5.254 1.00 0.00 C ATOM 51 C GLY A 4 16.134 -0.219 3.747 1.00 0.00 C ATOM 52 O GLY A 4 16.159 0.834 3.114 1.00 0.00 O ATOM 0 H GLY A 4 15.969 -1.895 6.470 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.199 0.763 5.663 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.410 -0.488 5.461 1.00 0.00 H new ATOM 56 N ALA A 5 15.902 -1.401 3.180 1.00 0.00 N ATOM 57 CA ALA A 5 15.658 -1.518 1.744 1.00 0.00 C ATOM 58 C ALA A 5 14.338 -0.852 1.367 1.00 0.00 C ATOM 59 O ALA A 5 14.267 -0.108 0.391 1.00 0.00 O ATOM 60 CB ALA A 5 15.617 -2.991 1.347 1.00 0.00 C ATOM 0 H ALA A 5 15.878 -2.285 3.688 1.00 0.00 H new ATOM 0 HA ALA A 5 16.468 -1.017 1.213 1.00 0.00 H new ATOM 0 HB1 ALA A 5 15.435 -3.074 0.276 1.00 0.00 H new ATOM 0 HB2 ALA A 5 16.570 -3.460 1.590 1.00 0.00 H new ATOM 0 HB3 ALA A 5 14.817 -3.492 1.891 1.00 0.00 H new ATOM 66 N ILE A 6 13.298 -1.125 2.146 1.00 0.00 N ATOM 67 CA ILE A 6 11.983 -0.542 1.877 1.00 0.00 C ATOM 68 C ILE A 6 12.004 0.972 2.122 1.00 0.00 C ATOM 69 O ILE A 6 11.474 1.753 1.324 1.00 0.00 O ATOM 70 CB ILE A 6 10.922 -1.200 2.775 1.00 0.00 C ATOM 71 CG1 ILE A 6 10.754 -2.678 2.365 1.00 0.00 C ATOM 72 CG2 ILE A 6 9.561 -0.457 2.613 1.00 0.00 C ATOM 73 CD1 ILE A 6 9.918 -3.409 3.416 1.00 0.00 C ATOM 0 H ILE A 6 13.335 -1.738 2.960 1.00 0.00 H new ATOM 0 HA ILE A 6 11.732 -0.723 0.832 1.00 0.00 H new ATOM 0 HB ILE A 6 11.241 -1.142 3.816 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.270 -2.743 1.391 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.731 -3.152 2.268 1.00 0.00 H new ATOM 0 HG21 ILE A 6 8.812 -0.926 3.251 1.00 0.00 H new ATOM 0 HG22 ILE A 6 9.680 0.587 2.901 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.238 -0.512 1.573 1.00 0.00 H new ATOM 0 HD11 ILE A 6 9.800 -4.453 3.125 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.420 -3.356 4.382 1.00 0.00 H new ATOM 0 HD13 ILE A 6 8.937 -2.940 3.491 1.00 0.00 H new ATOM 85 N ALA A 7 12.620 1.376 3.226 1.00 0.00 N ATOM 86 CA ALA A 7 12.707 2.792 3.570 1.00 0.00 C ATOM 87 C ALA A 7 13.580 3.535 2.572 1.00 0.00 C ATOM 88 O ALA A 7 13.224 4.615 2.104 1.00 0.00 O ATOM 89 CB ALA A 7 13.292 2.948 4.972 1.00 0.00 C ATOM 0 H ALA A 7 13.065 0.748 3.896 1.00 0.00 H new ATOM 0 HA ALA A 7 11.703 3.216 3.541 1.00 0.00 H new ATOM 0 HB1 ALA A 7 13.355 4.007 5.224 1.00 0.00 H new ATOM 0 HB2 ALA A 7 12.650 2.441 5.693 1.00 0.00 H new ATOM 0 HB3 ALA A 7 14.289 2.508 5.001 1.00 0.00 H new ATOM 95 N ALA A 8 14.719 2.950 2.248 1.00 0.00 N ATOM 96 CA ALA A 8 15.632 3.561 1.306 1.00 0.00 C ATOM 97 C ALA A 8 15.011 3.605 -0.084 1.00 0.00 C ATOM 98 O ALA A 8 15.285 4.512 -0.863 1.00 0.00 O ATOM 99 CB ALA A 8 16.934 2.776 1.260 1.00 0.00 C ATOM 0 H ALA A 8 15.031 2.055 2.624 1.00 0.00 H new ATOM 0 HA ALA A 8 15.837 4.580 1.633 1.00 0.00 H new ATOM 0 HB1 ALA A 8 17.615 3.243 0.549 1.00 0.00 H new ATOM 0 HB2 ALA A 8 17.391 2.770 2.250 1.00 0.00 H new ATOM 0 HB3 ALA A 8 16.730 1.751 0.949 1.00 0.00 H new ATOM 105 N PHE A 9 14.165 2.622 -0.386 1.00 0.00 N ATOM 106 CA PHE A 9 13.507 2.563 -1.682 1.00 0.00 C ATOM 107 C PHE A 9 12.625 3.787 -1.892 1.00 0.00 C ATOM 108 O PHE A 9 12.583 4.350 -2.969 1.00 0.00 O ATOM 109 CB PHE A 9 12.656 1.288 -1.780 1.00 0.00 C ATOM 110 CG PHE A 9 11.842 1.313 -3.066 1.00 0.00 C ATOM 111 CD1 PHE A 9 12.492 1.306 -4.304 1.00 0.00 C ATOM 112 CD2 PHE A 9 10.440 1.344 -3.011 1.00 0.00 C ATOM 113 CE1 PHE A 9 11.745 1.329 -5.489 1.00 0.00 C ATOM 114 CE2 PHE A 9 9.694 1.367 -4.195 1.00 0.00 C ATOM 115 CZ PHE A 9 10.347 1.360 -5.433 1.00 0.00 C ATOM 0 H PHE A 9 13.922 1.861 0.248 1.00 0.00 H new ATOM 0 HA PHE A 9 14.273 2.547 -2.457 1.00 0.00 H new ATOM 0 HB2 PHE A 9 13.299 0.408 -1.762 1.00 0.00 H new ATOM 0 HB3 PHE A 9 11.992 1.215 -0.919 1.00 0.00 H new ATOM 0 HD1 PHE A 9 13.571 1.283 -4.347 1.00 0.00 H new ATOM 0 HD2 PHE A 9 9.937 1.350 -2.055 1.00 0.00 H new ATOM 0 HE1 PHE A 9 12.248 1.323 -6.445 1.00 0.00 H new ATOM 0 HE2 PHE A 9 8.615 1.390 -4.153 1.00 0.00 H new ATOM 0 HZ PHE A 9 9.771 1.379 -6.346 1.00 0.00 H new ATOM 125 N ILE A 10 11.933 4.182 -0.858 1.00 0.00 N ATOM 126 CA ILE A 10 11.054 5.341 -0.934 1.00 0.00 C ATOM 127 C ILE A 10 11.862 6.644 -1.060 1.00 0.00 C ATOM 128 O ILE A 10 11.468 7.555 -1.785 1.00 0.00 O ATOM 129 CB ILE A 10 10.169 5.407 0.313 1.00 0.00 C ATOM 130 CG1 ILE A 10 9.219 4.196 0.326 1.00 0.00 C ATOM 131 CG2 ILE A 10 9.335 6.718 0.295 1.00 0.00 C ATOM 132 CD1 ILE A 10 8.541 4.092 1.687 1.00 0.00 C ATOM 0 H ILE A 10 11.954 3.724 0.053 1.00 0.00 H new ATOM 0 HA ILE A 10 10.431 5.234 -1.822 1.00 0.00 H new ATOM 0 HB ILE A 10 10.796 5.392 1.204 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.469 4.301 -0.458 1.00 0.00 H new ATOM 0 HG13 ILE A 10 9.775 3.283 0.115 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.706 6.761 1.184 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.007 7.576 0.283 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.706 6.737 -0.595 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.869 3.234 1.694 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.297 3.967 2.462 1.00 0.00 H new ATOM 0 HD13 ILE A 10 7.971 5.001 1.880 1.00 0.00 H new ATOM 144 N GLU A 11 12.970 6.729 -0.328 1.00 0.00 N ATOM 145 CA GLU A 11 13.811 7.942 -0.343 1.00 0.00 C ATOM 146 C GLU A 11 14.776 7.980 -1.548 1.00 0.00 C ATOM 147 O GLU A 11 14.851 8.982 -2.259 1.00 0.00 O ATOM 148 CB GLU A 11 14.640 7.993 0.960 1.00 0.00 C ATOM 149 CG GLU A 11 13.848 8.721 2.049 1.00 0.00 C ATOM 150 CD GLU A 11 12.486 8.064 2.229 1.00 0.00 C ATOM 151 OE1 GLU A 11 12.439 6.848 2.273 1.00 0.00 O ATOM 152 OE2 GLU A 11 11.510 8.788 2.326 1.00 0.00 O ATOM 0 H GLU A 11 13.311 5.985 0.280 1.00 0.00 H new ATOM 0 HA GLU A 11 13.146 8.801 -0.425 1.00 0.00 H new ATOM 0 HB2 GLU A 11 14.882 6.982 1.288 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.585 8.505 0.781 1.00 0.00 H new ATOM 0 HG2 GLU A 11 14.400 8.697 2.989 1.00 0.00 H new ATOM 0 HG3 GLU A 11 13.722 9.770 1.780 1.00 0.00 H new ATOM 159 N GLY A 12 15.524 6.895 -1.747 1.00 0.00 N ATOM 160 CA GLY A 12 16.506 6.834 -2.855 1.00 0.00 C ATOM 161 C GLY A 12 16.054 5.898 -3.956 1.00 0.00 C ATOM 162 O GLY A 12 16.870 5.230 -4.584 1.00 0.00 O ATOM 0 H GLY A 12 15.479 6.054 -1.172 1.00 0.00 H new ATOM 0 HA2 GLY A 12 16.654 7.833 -3.265 1.00 0.00 H new ATOM 0 HA3 GLY A 12 17.470 6.502 -2.469 1.00 0.00 H new ATOM 166 N GLY A 13 14.751 5.863 -4.196 1.00 0.00 N ATOM 167 CA GLY A 13 14.193 5.004 -5.247 1.00 0.00 C ATOM 168 C GLY A 13 14.926 3.658 -5.309 1.00 0.00 C ATOM 169 O GLY A 13 15.345 3.124 -4.292 1.00 0.00 O ATOM 0 H GLY A 13 14.060 6.412 -3.685 1.00 0.00 H new ATOM 0 HA2 GLY A 13 13.133 4.836 -5.058 1.00 0.00 H new ATOM 0 HA3 GLY A 13 14.269 5.508 -6.211 1.00 0.00 H new ATOM 173 N TRP A 14 15.076 3.126 -6.514 1.00 0.00 N ATOM 174 CA TRP A 14 15.759 1.845 -6.698 1.00 0.00 C ATOM 175 C TRP A 14 17.140 1.858 -6.020 1.00 0.00 C ATOM 176 O TRP A 14 17.460 0.977 -5.226 1.00 0.00 O ATOM 177 CB TRP A 14 15.934 1.566 -8.176 1.00 0.00 C ATOM 178 CG TRP A 14 16.637 0.266 -8.348 1.00 0.00 C ATOM 179 CD1 TRP A 14 17.975 0.112 -8.408 1.00 0.00 C ATOM 180 CD2 TRP A 14 16.065 -1.054 -8.476 1.00 0.00 C ATOM 181 NE1 TRP A 14 18.259 -1.231 -8.565 1.00 0.00 N ATOM 182 CE2 TRP A 14 17.110 -1.991 -8.615 1.00 0.00 C ATOM 183 CE3 TRP A 14 14.747 -1.526 -8.484 1.00 0.00 C ATOM 184 CZ2 TRP A 14 16.862 -3.349 -8.760 1.00 0.00 C ATOM 185 CZ3 TRP A 14 14.486 -2.906 -8.631 1.00 0.00 C ATOM 186 CH2 TRP A 14 15.550 -3.814 -8.769 1.00 0.00 C ATOM 0 H TRP A 14 14.738 3.555 -7.376 1.00 0.00 H new ATOM 0 HA TRP A 14 15.150 1.065 -6.241 1.00 0.00 H new ATOM 0 HB2 TRP A 14 14.963 1.536 -8.670 1.00 0.00 H new ATOM 0 HB3 TRP A 14 16.506 2.367 -8.644 1.00 0.00 H new ATOM 0 HD1 TRP A 14 18.704 0.906 -8.344 1.00 0.00 H new ATOM 0 HE1 TRP A 14 19.202 -1.613 -8.635 1.00 0.00 H new ATOM 0 HE3 TRP A 14 13.927 -0.832 -8.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 17.684 -4.042 -8.865 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 13.467 -3.264 -8.637 1.00 0.00 H new ATOM 0 HH2 TRP A 14 15.350 -4.869 -8.882 1.00 0.00 H new ATOM 197 N THR A 15 17.945 2.865 -6.345 1.00 0.00 N ATOM 198 CA THR A 15 19.289 2.989 -5.766 1.00 0.00 C ATOM 199 C THR A 15 19.242 2.842 -4.251 1.00 0.00 C ATOM 200 O THR A 15 20.134 2.238 -3.650 1.00 0.00 O ATOM 201 CB THR A 15 19.885 4.356 -6.132 1.00 0.00 C ATOM 202 OG1 THR A 15 19.709 4.590 -7.524 1.00 0.00 O ATOM 203 CG2 THR A 15 21.376 4.373 -5.793 1.00 0.00 C ATOM 0 H THR A 15 17.697 3.605 -7.001 1.00 0.00 H new ATOM 0 HA THR A 15 19.914 2.194 -6.172 1.00 0.00 H new ATOM 0 HB THR A 15 19.379 5.137 -5.565 1.00 0.00 H new ATOM 0 HG1 THR A 15 20.087 5.463 -7.759 1.00 0.00 H new ATOM 0 HG21 THR A 15 21.797 5.344 -6.053 1.00 0.00 H new ATOM 0 HG22 THR A 15 21.509 4.194 -4.726 1.00 0.00 H new ATOM 0 HG23 THR A 15 21.886 3.593 -6.358 1.00 0.00 H new ATOM 211 N GLY A 16 18.216 3.387 -3.642 1.00 0.00 N ATOM 212 CA GLY A 16 18.075 3.307 -2.199 1.00 0.00 C ATOM 213 C GLY A 16 17.871 1.863 -1.748 1.00 0.00 C ATOM 214 O GLY A 16 18.370 1.456 -0.701 1.00 0.00 O ATOM 0 H GLY A 16 17.466 3.890 -4.117 1.00 0.00 H new ATOM 0 HA2 GLY A 16 18.963 3.719 -1.720 1.00 0.00 H new ATOM 0 HA3 GLY A 16 17.229 3.915 -1.879 1.00 0.00 H new ATOM 218 N MET A 17 17.139 1.094 -2.546 1.00 0.00 N ATOM 219 CA MET A 17 16.877 -0.308 -2.211 1.00 0.00 C ATOM 220 C MET A 17 18.178 -1.082 -2.079 1.00 0.00 C ATOM 221 O MET A 17 18.374 -1.818 -1.108 1.00 0.00 O ATOM 222 CB MET A 17 16.002 -0.954 -3.291 1.00 0.00 C ATOM 223 CG MET A 17 15.729 -2.411 -2.932 1.00 0.00 C ATOM 224 SD MET A 17 14.478 -3.084 -4.056 1.00 0.00 S ATOM 225 CE MET A 17 15.590 -3.494 -5.422 1.00 0.00 C ATOM 0 H MET A 17 16.719 1.409 -3.420 1.00 0.00 H new ATOM 0 HA MET A 17 16.353 -0.337 -1.256 1.00 0.00 H new ATOM 0 HB2 MET A 17 15.062 -0.410 -3.383 1.00 0.00 H new ATOM 0 HB3 MET A 17 16.500 -0.896 -4.259 1.00 0.00 H new ATOM 0 HG2 MET A 17 16.648 -2.993 -3.003 1.00 0.00 H new ATOM 0 HG3 MET A 17 15.384 -2.484 -1.901 1.00 0.00 H new ATOM 0 HE1 MET A 17 15.129 -4.256 -6.050 1.00 0.00 H new ATOM 0 HE2 MET A 17 15.781 -2.600 -6.016 1.00 0.00 H new ATOM 0 HE3 MET A 17 16.531 -3.873 -5.024 1.00 0.00 H new ATOM 235 N ILE A 18 19.066 -0.914 -3.048 1.00 0.00 N ATOM 236 CA ILE A 18 20.346 -1.608 -3.018 1.00 0.00 C ATOM 237 C ILE A 18 21.158 -1.183 -1.803 1.00 0.00 C ATOM 238 O ILE A 18 21.626 -2.022 -1.037 1.00 0.00 O ATOM 239 CB ILE A 18 21.135 -1.305 -4.293 1.00 0.00 C ATOM 240 CG1 ILE A 18 20.337 -1.783 -5.513 1.00 0.00 C ATOM 241 CG2 ILE A 18 22.483 -2.032 -4.245 1.00 0.00 C ATOM 242 CD1 ILE A 18 21.022 -1.300 -6.791 1.00 0.00 C ATOM 0 H ILE A 18 18.927 -0.309 -3.858 1.00 0.00 H new ATOM 0 HA ILE A 18 20.155 -2.679 -2.955 1.00 0.00 H new ATOM 0 HB ILE A 18 21.305 -0.231 -4.369 1.00 0.00 H new ATOM 0 HG12 ILE A 18 20.269 -2.871 -5.513 1.00 0.00 H new ATOM 0 HG13 ILE A 18 19.318 -1.400 -5.467 1.00 0.00 H new ATOM 0 HG21 ILE A 18 23.045 -1.816 -5.153 1.00 0.00 H new ATOM 0 HG22 ILE A 18 23.049 -1.691 -3.378 1.00 0.00 H new ATOM 0 HG23 ILE A 18 22.315 -3.106 -4.169 1.00 0.00 H new ATOM 0 HD11 ILE A 18 20.455 -1.639 -7.658 1.00 0.00 H new ATOM 0 HD12 ILE A 18 21.067 -0.211 -6.790 1.00 0.00 H new ATOM 0 HD13 ILE A 18 22.033 -1.705 -6.837 1.00 0.00 H new ATOM 254 N ASP A 19 21.330 0.121 -1.633 1.00 0.00 N ATOM 255 CA ASP A 19 22.099 0.634 -0.510 1.00 0.00 C ATOM 256 C ASP A 19 21.479 0.198 0.815 1.00 0.00 C ATOM 257 O ASP A 19 22.185 -0.175 1.746 1.00 0.00 O ATOM 258 CB ASP A 19 22.155 2.161 -0.573 1.00 0.00 C ATOM 259 CG ASP A 19 23.209 2.686 0.395 1.00 0.00 C ATOM 260 OD1 ASP A 19 24.383 2.575 0.079 1.00 0.00 O ATOM 261 OD2 ASP A 19 22.830 3.191 1.439 1.00 0.00 O ATOM 0 H ASP A 19 20.951 0.837 -2.253 1.00 0.00 H new ATOM 0 HA ASP A 19 23.109 0.229 -0.572 1.00 0.00 H new ATOM 0 HB2 ASP A 19 22.389 2.483 -1.588 1.00 0.00 H new ATOM 0 HB3 ASP A 19 21.180 2.579 -0.323 1.00 0.00 H new ATOM 266 N GLY A 20 20.152 0.255 0.890 1.00 0.00 N ATOM 267 CA GLY A 20 19.450 -0.133 2.108 1.00 0.00 C ATOM 268 C GLY A 20 19.641 -1.616 2.404 1.00 0.00 C ATOM 269 O GLY A 20 19.824 -2.011 3.557 1.00 0.00 O ATOM 0 H GLY A 20 19.547 0.563 0.129 1.00 0.00 H new ATOM 0 HA2 GLY A 20 19.817 0.458 2.947 1.00 0.00 H new ATOM 0 HA3 GLY A 20 18.387 0.086 2.004 1.00 0.00 H new ATOM 273 N TRP A 21 19.597 -2.435 1.357 1.00 0.00 N ATOM 274 CA TRP A 21 19.768 -3.874 1.519 1.00 0.00 C ATOM 275 C TRP A 21 21.195 -4.198 1.946 1.00 0.00 C ATOM 276 O TRP A 21 21.423 -5.101 2.752 1.00 0.00 O ATOM 277 CB TRP A 21 19.444 -4.594 0.205 1.00 0.00 C ATOM 278 CG TRP A 21 19.619 -6.068 0.387 1.00 0.00 C ATOM 279 CD1 TRP A 21 20.650 -6.795 -0.103 1.00 0.00 C ATOM 280 CD2 TRP A 21 18.762 -7.003 1.099 1.00 0.00 C ATOM 281 NE1 TRP A 21 20.477 -8.118 0.267 1.00 0.00 N ATOM 282 CE2 TRP A 21 19.325 -8.294 1.009 1.00 0.00 C ATOM 283 CE3 TRP A 21 17.554 -6.854 1.811 1.00 0.00 C ATOM 284 CZ2 TRP A 21 18.723 -9.399 1.598 1.00 0.00 C ATOM 285 CZ3 TRP A 21 16.941 -7.974 2.410 1.00 0.00 C ATOM 286 CH2 TRP A 21 17.530 -9.244 2.300 1.00 0.00 C ATOM 0 H TRP A 21 19.446 -2.130 0.396 1.00 0.00 H new ATOM 0 HA TRP A 21 19.083 -4.217 2.295 1.00 0.00 H new ATOM 0 HB2 TRP A 21 18.421 -4.374 -0.100 1.00 0.00 H new ATOM 0 HB3 TRP A 21 20.098 -4.235 -0.590 1.00 0.00 H new ATOM 0 HD1 TRP A 21 21.472 -6.407 -0.686 1.00 0.00 H new ATOM 0 HE1 TRP A 21 21.121 -8.870 0.022 1.00 0.00 H new ATOM 0 HE3 TRP A 21 17.097 -5.879 1.898 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 19.178 -10.375 1.512 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 16.016 -7.855 2.955 1.00 0.00 H new ATOM 0 HH2 TRP A 21 17.058 -10.100 2.759 1.00 0.00 H new ATOM 297 N TYR A 22 22.155 -3.455 1.402 1.00 0.00 N ATOM 298 CA TYR A 22 23.559 -3.669 1.738 1.00 0.00 C ATOM 299 C TYR A 22 23.901 -3.008 3.074 1.00 0.00 C ATOM 300 O TYR A 22 24.685 -3.543 3.856 1.00 0.00 O ATOM 301 CB TYR A 22 24.461 -3.094 0.619 1.00 0.00 C ATOM 302 CG TYR A 22 24.713 -4.166 -0.430 1.00 0.00 C ATOM 303 CD1 TYR A 22 25.585 -5.223 -0.150 1.00 0.00 C ATOM 304 CD2 TYR A 22 24.070 -4.100 -1.674 1.00 0.00 C ATOM 305 CE1 TYR A 22 25.816 -6.214 -1.109 1.00 0.00 C ATOM 306 CE2 TYR A 22 24.302 -5.091 -2.633 1.00 0.00 C ATOM 307 CZ TYR A 22 25.175 -6.148 -2.351 1.00 0.00 C ATOM 308 OH TYR A 22 25.403 -7.126 -3.297 1.00 0.00 O ATOM 0 H TYR A 22 21.988 -2.705 0.731 1.00 0.00 H new ATOM 0 HA TYR A 22 23.735 -4.741 1.828 1.00 0.00 H new ATOM 0 HB2 TYR A 22 23.983 -2.228 0.162 1.00 0.00 H new ATOM 0 HB3 TYR A 22 25.407 -2.752 1.039 1.00 0.00 H new ATOM 0 HD1 TYR A 22 26.081 -5.274 0.808 1.00 0.00 H new ATOM 0 HD2 TYR A 22 23.396 -3.285 -1.892 1.00 0.00 H new ATOM 0 HE1 TYR A 22 26.489 -7.030 -0.891 1.00 0.00 H new ATOM 0 HE2 TYR A 22 23.807 -5.041 -3.592 1.00 0.00 H new ATOM 0 HH TYR A 22 24.880 -6.931 -4.102 1.00 0.00 H new ATOM 318 N GLY A 23 23.314 -1.839 3.323 1.00 0.00 N ATOM 319 CA GLY A 23 23.573 -1.117 4.565 1.00 0.00 C ATOM 320 C GLY A 23 23.377 -2.022 5.772 1.00 0.00 C ATOM 321 O GLY A 23 22.305 -2.041 6.378 1.00 0.00 O ATOM 0 H GLY A 23 22.663 -1.376 2.689 1.00 0.00 H new ATOM 0 HA2 GLY A 23 24.591 -0.729 4.559 1.00 0.00 H new ATOM 0 HA3 GLY A 23 22.905 -0.259 4.637 1.00 0.00 H new ATOM 325 N SER A 24 24.417 -2.771 6.120 1.00 0.00 N ATOM 326 CA SER A 24 24.345 -3.678 7.263 1.00 0.00 C ATOM 327 C SER A 24 23.684 -2.987 8.463 1.00 0.00 C ATOM 328 O SER A 24 23.057 -3.678 9.248 1.00 0.00 O ATOM 329 CB SER A 24 25.754 -4.144 7.647 1.00 0.00 C ATOM 330 OG SER A 24 25.667 -5.379 8.353 1.00 0.00 O ATOM 0 H SER A 24 25.313 -2.770 5.633 1.00 0.00 H new ATOM 0 HA SER A 24 23.741 -4.540 6.982 1.00 0.00 H new ATOM 0 HB2 SER A 24 26.365 -4.266 6.753 1.00 0.00 H new ATOM 0 HB3 SER A 24 26.242 -3.392 8.267 1.00 0.00 H new ATOM 0 HG SER A 24 26.567 -5.680 8.598 1.00 0.00 H new TER 336 SER A 24 ATOM 337 N GLY B 1 38.977 -3.927 6.574 1.00 0.00 N ATOM 338 CA GLY B 1 37.987 -5.041 6.621 1.00 0.00 C ATOM 339 C GLY B 1 36.847 -4.747 5.661 1.00 0.00 C ATOM 340 O GLY B 1 36.929 -3.827 4.847 1.00 0.00 O ATOM 0 H1 GLY B 1 39.906 -4.300 6.293 1.00 0.00 H new ATOM 0 H2 GLY B 1 38.666 -3.215 5.883 1.00 0.00 H new ATOM 0 H3 GLY B 1 39.050 -3.488 7.514 1.00 0.00 H new ATOM 0 HA2 GLY B 1 38.469 -5.981 6.353 1.00 0.00 H new ATOM 0 HA3 GLY B 1 37.602 -5.157 7.634 1.00 0.00 H new ATOM 346 N LEU B 2 35.781 -5.531 5.758 1.00 0.00 N ATOM 347 CA LEU B 2 34.628 -5.342 4.890 1.00 0.00 C ATOM 348 C LEU B 2 34.021 -3.963 5.103 1.00 0.00 C ATOM 349 O LEU B 2 33.633 -3.291 4.147 1.00 0.00 O ATOM 350 CB LEU B 2 33.564 -6.425 5.179 1.00 0.00 C ATOM 351 CG LEU B 2 32.275 -6.133 4.371 1.00 0.00 C ATOM 352 CD1 LEU B 2 32.580 -6.186 2.868 1.00 0.00 C ATOM 353 CD2 LEU B 2 31.218 -7.183 4.710 1.00 0.00 C ATOM 0 H LEU B 2 35.691 -6.298 6.424 1.00 0.00 H new ATOM 0 HA LEU B 2 34.959 -5.427 3.855 1.00 0.00 H new ATOM 0 HB2 LEU B 2 33.953 -7.408 4.915 1.00 0.00 H new ATOM 0 HB3 LEU B 2 33.337 -6.448 6.245 1.00 0.00 H new ATOM 0 HG LEU B 2 31.905 -5.140 4.628 1.00 0.00 H new ATOM 0 HD11 LEU B 2 31.670 -5.980 2.305 1.00 0.00 H new ATOM 0 HD12 LEU B 2 33.335 -5.439 2.623 1.00 0.00 H new ATOM 0 HD13 LEU B 2 32.952 -7.177 2.607 1.00 0.00 H new ATOM 0 HD21 LEU B 2 30.309 -6.981 4.143 1.00 0.00 H new ATOM 0 HD22 LEU B 2 31.593 -8.173 4.453 1.00 0.00 H new ATOM 0 HD23 LEU B 2 30.996 -7.145 5.777 1.00 0.00 H new ATOM 365 N PHE B 3 33.937 -3.547 6.361 1.00 0.00 N ATOM 366 CA PHE B 3 33.368 -2.247 6.683 1.00 0.00 C ATOM 367 C PHE B 3 34.119 -1.141 5.957 1.00 0.00 C ATOM 368 O PHE B 3 33.513 -0.294 5.311 1.00 0.00 O ATOM 369 CB PHE B 3 33.439 -2.006 8.192 1.00 0.00 C ATOM 370 CG PHE B 3 32.538 -2.990 8.903 1.00 0.00 C ATOM 371 CD1 PHE B 3 31.185 -2.688 9.092 1.00 0.00 C ATOM 372 CD2 PHE B 3 33.058 -4.204 9.374 1.00 0.00 C ATOM 373 CE1 PHE B 3 30.350 -3.599 9.751 1.00 0.00 C ATOM 374 CE2 PHE B 3 32.222 -5.115 10.033 1.00 0.00 C ATOM 375 CZ PHE B 3 30.868 -4.812 10.221 1.00 0.00 C ATOM 0 H PHE B 3 34.253 -4.086 7.167 1.00 0.00 H new ATOM 0 HA PHE B 3 32.327 -2.237 6.361 1.00 0.00 H new ATOM 0 HB2 PHE B 3 34.465 -2.119 8.541 1.00 0.00 H new ATOM 0 HB3 PHE B 3 33.134 -0.985 8.423 1.00 0.00 H new ATOM 0 HD1 PHE B 3 30.785 -1.753 8.730 1.00 0.00 H new ATOM 0 HD2 PHE B 3 34.103 -4.437 9.229 1.00 0.00 H new ATOM 0 HE1 PHE B 3 29.306 -3.366 9.897 1.00 0.00 H new ATOM 0 HE2 PHE B 3 32.622 -6.050 10.396 1.00 0.00 H new ATOM 0 HZ PHE B 3 30.223 -5.514 10.729 1.00 0.00 H new ATOM 385 N GLY B 4 35.440 -1.155 6.066 1.00 0.00 N ATOM 386 CA GLY B 4 36.258 -0.143 5.411 1.00 0.00 C ATOM 387 C GLY B 4 36.072 -0.184 3.897 1.00 0.00 C ATOM 388 O GLY B 4 36.005 0.855 3.243 1.00 0.00 O ATOM 0 H GLY B 4 35.965 -1.850 6.597 1.00 0.00 H new ATOM 0 HA2 GLY B 4 35.991 0.845 5.787 1.00 0.00 H new ATOM 0 HA3 GLY B 4 37.308 -0.304 5.656 1.00 0.00 H new ATOM 392 N ALA B 5 35.988 -1.391 3.350 1.00 0.00 N ATOM 393 CA ALA B 5 35.809 -1.556 1.910 1.00 0.00 C ATOM 394 C ALA B 5 34.516 -0.885 1.452 1.00 0.00 C ATOM 395 O ALA B 5 34.519 -0.089 0.514 1.00 0.00 O ATOM 396 CB ALA B 5 35.775 -3.066 1.555 1.00 0.00 C ATOM 0 H ALA B 5 36.040 -2.264 3.875 1.00 0.00 H new ATOM 0 HA ALA B 5 36.647 -1.084 1.397 1.00 0.00 H new ATOM 0 HB1 ALA B 5 35.641 -3.184 0.480 1.00 0.00 H new ATOM 0 HB2 ALA B 5 36.713 -3.532 1.857 1.00 0.00 H new ATOM 0 HB3 ALA B 5 34.947 -3.544 2.078 1.00 0.00 H new ATOM 402 N ILE B 6 33.421 -1.210 2.117 1.00 0.00 N ATOM 403 CA ILE B 6 32.135 -0.632 1.766 1.00 0.00 C ATOM 404 C ILE B 6 32.141 0.876 2.001 1.00 0.00 C ATOM 405 O ILE B 6 31.637 1.650 1.176 1.00 0.00 O ATOM 406 CB ILE B 6 31.020 -1.283 2.601 1.00 0.00 C ATOM 407 CG1 ILE B 6 30.975 -2.790 2.305 1.00 0.00 C ATOM 408 CG2 ILE B 6 29.666 -0.651 2.241 1.00 0.00 C ATOM 409 CD1 ILE B 6 29.980 -3.471 3.252 1.00 0.00 C ATOM 0 H ILE B 6 33.396 -1.866 2.898 1.00 0.00 H new ATOM 0 HA ILE B 6 31.950 -0.820 0.708 1.00 0.00 H new ATOM 0 HB ILE B 6 31.222 -1.123 3.660 1.00 0.00 H new ATOM 0 HG12 ILE B 6 30.680 -2.959 1.269 1.00 0.00 H new ATOM 0 HG13 ILE B 6 31.967 -3.225 2.429 1.00 0.00 H new ATOM 0 HG21 ILE B 6 28.879 -1.115 2.835 1.00 0.00 H new ATOM 0 HG22 ILE B 6 29.696 0.418 2.451 1.00 0.00 H new ATOM 0 HG23 ILE B 6 29.462 -0.807 1.182 1.00 0.00 H new ATOM 0 HD11 ILE B 6 29.950 -4.540 3.040 1.00 0.00 H new ATOM 0 HD12 ILE B 6 30.294 -3.314 4.284 1.00 0.00 H new ATOM 0 HD13 ILE B 6 28.988 -3.044 3.106 1.00 0.00 H new ATOM 421 N ALA B 7 32.708 1.294 3.128 1.00 0.00 N ATOM 422 CA ALA B 7 32.762 2.718 3.455 1.00 0.00 C ATOM 423 C ALA B 7 33.583 3.472 2.413 1.00 0.00 C ATOM 424 O ALA B 7 33.209 4.562 1.986 1.00 0.00 O ATOM 425 CB ALA B 7 33.375 2.921 4.862 1.00 0.00 C ATOM 0 H ALA B 7 33.132 0.679 3.823 1.00 0.00 H new ATOM 0 HA ALA B 7 31.746 3.113 3.452 1.00 0.00 H new ATOM 0 HB1 ALA B 7 33.410 3.986 5.094 1.00 0.00 H new ATOM 0 HB2 ALA B 7 32.762 2.408 5.603 1.00 0.00 H new ATOM 0 HB3 ALA B 7 34.385 2.512 4.881 1.00 0.00 H new ATOM 431 N ALA B 8 34.702 2.881 2.011 1.00 0.00 N ATOM 432 CA ALA B 8 35.562 3.504 1.022 1.00 0.00 C ATOM 433 C ALA B 8 34.838 3.606 -0.320 1.00 0.00 C ATOM 434 O ALA B 8 35.011 4.567 -1.055 1.00 0.00 O ATOM 435 CB ALA B 8 36.856 2.689 0.856 1.00 0.00 C ATOM 0 H ALA B 8 35.030 1.978 2.354 1.00 0.00 H new ATOM 0 HA ALA B 8 35.815 4.507 1.364 1.00 0.00 H new ATOM 0 HB1 ALA B 8 37.493 3.166 0.111 1.00 0.00 H new ATOM 0 HB2 ALA B 8 37.383 2.644 1.809 1.00 0.00 H new ATOM 0 HB3 ALA B 8 36.610 1.679 0.529 1.00 0.00 H new ATOM 441 N PHE B 9 34.029 2.605 -0.625 1.00 0.00 N ATOM 442 CA PHE B 9 33.291 2.600 -1.877 1.00 0.00 C ATOM 443 C PHE B 9 32.467 3.879 -2.000 1.00 0.00 C ATOM 444 O PHE B 9 32.379 4.472 -3.075 1.00 0.00 O ATOM 445 CB PHE B 9 32.375 1.370 -1.944 1.00 0.00 C ATOM 446 CG PHE B 9 31.798 1.235 -3.335 1.00 0.00 C ATOM 447 CD1 PHE B 9 32.558 0.649 -4.352 1.00 0.00 C ATOM 448 CD2 PHE B 9 30.502 1.693 -3.606 1.00 0.00 C ATOM 449 CE1 PHE B 9 32.026 0.520 -5.638 1.00 0.00 C ATOM 450 CE2 PHE B 9 29.970 1.563 -4.893 1.00 0.00 C ATOM 451 CZ PHE B 9 30.732 0.976 -5.910 1.00 0.00 C ATOM 0 H PHE B 9 33.867 1.793 -0.029 1.00 0.00 H new ATOM 0 HA PHE B 9 33.998 2.555 -2.706 1.00 0.00 H new ATOM 0 HB2 PHE B 9 32.937 0.473 -1.685 1.00 0.00 H new ATOM 0 HB3 PHE B 9 31.571 1.464 -1.214 1.00 0.00 H new ATOM 0 HD1 PHE B 9 33.557 0.296 -4.144 1.00 0.00 H new ATOM 0 HD2 PHE B 9 29.914 2.146 -2.822 1.00 0.00 H new ATOM 0 HE1 PHE B 9 32.615 0.068 -6.422 1.00 0.00 H new ATOM 0 HE2 PHE B 9 28.971 1.916 -5.102 1.00 0.00 H new ATOM 0 HZ PHE B 9 30.321 0.875 -6.904 1.00 0.00 H new ATOM 461 N ILE B 10 31.868 4.298 -0.891 1.00 0.00 N ATOM 462 CA ILE B 10 31.052 5.518 -0.883 1.00 0.00 C ATOM 463 C ILE B 10 31.926 6.762 -0.645 1.00 0.00 C ATOM 464 O ILE B 10 31.949 7.684 -1.460 1.00 0.00 O ATOM 465 CB ILE B 10 30.000 5.425 0.219 1.00 0.00 C ATOM 466 CG1 ILE B 10 29.162 4.160 0.015 1.00 0.00 C ATOM 467 CG2 ILE B 10 29.086 6.657 0.162 1.00 0.00 C ATOM 468 CD1 ILE B 10 28.256 3.946 1.226 1.00 0.00 C ATOM 0 H ILE B 10 31.928 3.820 0.008 1.00 0.00 H new ATOM 0 HA ILE B 10 30.567 5.611 -1.855 1.00 0.00 H new ATOM 0 HB ILE B 10 30.494 5.384 1.190 1.00 0.00 H new ATOM 0 HG12 ILE B 10 28.561 4.251 -0.890 1.00 0.00 H new ATOM 0 HG13 ILE B 10 29.814 3.297 -0.121 1.00 0.00 H new ATOM 0 HG21 ILE B 10 28.335 6.590 0.949 1.00 0.00 H new ATOM 0 HG22 ILE B 10 29.681 7.559 0.305 1.00 0.00 H new ATOM 0 HG23 ILE B 10 28.591 6.699 -0.808 1.00 0.00 H new ATOM 0 HD11 ILE B 10 27.660 3.045 1.080 1.00 0.00 H new ATOM 0 HD12 ILE B 10 28.867 3.836 2.122 1.00 0.00 H new ATOM 0 HD13 ILE B 10 27.594 4.804 1.341 1.00 0.00 H new ATOM 480 N GLU B 11 32.631 6.773 0.486 1.00 0.00 N ATOM 481 CA GLU B 11 33.501 7.912 0.838 1.00 0.00 C ATOM 482 C GLU B 11 34.838 7.838 0.096 1.00 0.00 C ATOM 483 O GLU B 11 35.300 8.829 -0.469 1.00 0.00 O ATOM 484 CB GLU B 11 33.759 7.925 2.359 1.00 0.00 C ATOM 485 CG GLU B 11 32.507 8.426 3.098 1.00 0.00 C ATOM 486 CD GLU B 11 31.405 7.378 3.028 1.00 0.00 C ATOM 487 OE1 GLU B 11 31.734 6.204 3.005 1.00 0.00 O ATOM 488 OE2 GLU B 11 30.248 7.763 3.004 1.00 0.00 O ATOM 0 H GLU B 11 32.623 6.018 1.172 1.00 0.00 H new ATOM 0 HA GLU B 11 32.991 8.829 0.541 1.00 0.00 H new ATOM 0 HB2 GLU B 11 34.017 6.923 2.701 1.00 0.00 H new ATOM 0 HB3 GLU B 11 34.609 8.569 2.587 1.00 0.00 H new ATOM 0 HG2 GLU B 11 32.751 8.640 4.139 1.00 0.00 H new ATOM 0 HG3 GLU B 11 32.161 9.359 2.653 1.00 0.00 H new ATOM 495 N GLY B 12 35.451 6.667 0.103 1.00 0.00 N ATOM 496 CA GLY B 12 36.736 6.483 -0.573 1.00 0.00 C ATOM 497 C GLY B 12 36.549 6.393 -2.082 1.00 0.00 C ATOM 498 O GLY B 12 37.469 6.023 -2.810 1.00 0.00 O ATOM 0 H GLY B 12 35.089 5.832 0.563 1.00 0.00 H new ATOM 0 HA2 GLY B 12 37.399 7.314 -0.334 1.00 0.00 H new ATOM 0 HA3 GLY B 12 37.217 5.576 -0.207 1.00 0.00 H new ATOM 502 N GLY B 13 35.350 6.732 -2.543 1.00 0.00 N ATOM 503 CA GLY B 13 35.045 6.685 -3.973 1.00 0.00 C ATOM 504 C GLY B 13 34.693 5.269 -4.400 1.00 0.00 C ATOM 505 O GLY B 13 35.181 4.297 -3.819 1.00 0.00 O ATOM 0 H GLY B 13 34.577 7.041 -1.954 1.00 0.00 H new ATOM 0 HA2 GLY B 13 34.214 7.355 -4.195 1.00 0.00 H new ATOM 0 HA3 GLY B 13 35.902 7.040 -4.545 1.00 0.00 H new ATOM 509 N TRP B 14 33.844 5.151 -5.419 1.00 0.00 N ATOM 510 CA TRP B 14 33.442 3.835 -5.911 1.00 0.00 C ATOM 511 C TRP B 14 34.499 3.268 -6.851 1.00 0.00 C ATOM 512 O TRP B 14 34.779 2.069 -6.838 1.00 0.00 O ATOM 513 CB TRP B 14 32.106 3.935 -6.642 1.00 0.00 C ATOM 514 CG TRP B 14 32.206 4.960 -7.722 1.00 0.00 C ATOM 515 CD1 TRP B 14 32.113 6.295 -7.536 1.00 0.00 C ATOM 516 CD2 TRP B 14 32.411 4.757 -9.147 1.00 0.00 C ATOM 517 NE1 TRP B 14 32.251 6.926 -8.762 1.00 0.00 N ATOM 518 CE2 TRP B 14 32.437 6.016 -9.786 1.00 0.00 C ATOM 519 CE3 TRP B 14 32.577 3.605 -9.942 1.00 0.00 C ATOM 520 CZ2 TRP B 14 32.620 6.137 -11.159 1.00 0.00 C ATOM 521 CZ3 TRP B 14 32.763 3.726 -11.337 1.00 0.00 C ATOM 522 CH2 TRP B 14 32.783 4.994 -11.939 1.00 0.00 C ATOM 0 H TRP B 14 33.426 5.939 -5.914 1.00 0.00 H new ATOM 0 HA TRP B 14 33.337 3.166 -5.057 1.00 0.00 H new ATOM 0 HB2 TRP B 14 31.839 2.968 -7.067 1.00 0.00 H new ATOM 0 HB3 TRP B 14 31.315 4.205 -5.942 1.00 0.00 H new ATOM 0 HD1 TRP B 14 31.957 6.789 -6.588 1.00 0.00 H new ATOM 0 HE1 TRP B 14 32.219 7.937 -8.893 1.00 0.00 H new ATOM 0 HE3 TRP B 14 32.562 2.627 -9.483 1.00 0.00 H new ATOM 0 HZ2 TRP B 14 32.636 7.114 -11.619 1.00 0.00 H new ATOM 0 HZ3 TRP B 14 32.890 2.841 -11.942 1.00 0.00 H new ATOM 0 HH2 TRP B 14 32.925 5.084 -13.006 1.00 0.00 H new ATOM 533 N THR B 15 35.080 4.142 -7.669 1.00 0.00 N ATOM 534 CA THR B 15 36.109 3.726 -8.623 1.00 0.00 C ATOM 535 C THR B 15 37.483 3.680 -7.964 1.00 0.00 C ATOM 536 O THR B 15 38.364 2.940 -8.401 1.00 0.00 O ATOM 537 CB THR B 15 36.149 4.708 -9.809 1.00 0.00 C ATOM 538 OG1 THR B 15 34.828 4.944 -10.267 1.00 0.00 O ATOM 539 CG2 THR B 15 36.999 4.116 -10.965 1.00 0.00 C ATOM 0 H THR B 15 34.859 5.137 -7.692 1.00 0.00 H new ATOM 0 HA THR B 15 35.858 2.726 -8.975 1.00 0.00 H new ATOM 0 HB THR B 15 36.600 5.645 -9.482 1.00 0.00 H new ATOM 0 HG1 THR B 15 34.367 4.088 -10.392 1.00 0.00 H new ATOM 0 HG21 THR B 15 37.020 4.819 -11.798 1.00 0.00 H new ATOM 0 HG22 THR B 15 38.016 3.938 -10.615 1.00 0.00 H new ATOM 0 HG23 THR B 15 36.559 3.175 -11.295 1.00 0.00 H new ATOM 547 N GLY B 16 37.670 4.483 -6.918 1.00 0.00 N ATOM 548 CA GLY B 16 38.953 4.526 -6.225 1.00 0.00 C ATOM 549 C GLY B 16 39.355 3.145 -5.719 1.00 0.00 C ATOM 550 O GLY B 16 40.508 2.736 -5.857 1.00 0.00 O ATOM 0 H GLY B 16 36.958 5.105 -6.536 1.00 0.00 H new ATOM 0 HA2 GLY B 16 39.720 4.906 -6.899 1.00 0.00 H new ATOM 0 HA3 GLY B 16 38.893 5.220 -5.386 1.00 0.00 H new ATOM 554 N MET B 17 38.402 2.428 -5.137 1.00 0.00 N ATOM 555 CA MET B 17 38.678 1.090 -4.618 1.00 0.00 C ATOM 556 C MET B 17 39.061 0.146 -5.751 1.00 0.00 C ATOM 557 O MET B 17 39.996 -0.644 -5.627 1.00 0.00 O ATOM 558 CB MET B 17 37.446 0.547 -3.898 1.00 0.00 C ATOM 559 CG MET B 17 37.778 -0.807 -3.262 1.00 0.00 C ATOM 560 SD MET B 17 36.447 -1.286 -2.128 1.00 0.00 S ATOM 561 CE MET B 17 35.384 -2.102 -3.344 1.00 0.00 C ATOM 0 H MET B 17 37.440 2.744 -5.012 1.00 0.00 H new ATOM 0 HA MET B 17 39.510 1.157 -3.917 1.00 0.00 H new ATOM 0 HB2 MET B 17 37.121 1.250 -3.131 1.00 0.00 H new ATOM 0 HB3 MET B 17 36.620 0.437 -4.601 1.00 0.00 H new ATOM 0 HG2 MET B 17 37.900 -1.564 -4.036 1.00 0.00 H new ATOM 0 HG3 MET B 17 38.724 -0.746 -2.724 1.00 0.00 H new ATOM 0 HE1 MET B 17 34.489 -2.479 -2.850 1.00 0.00 H new ATOM 0 HE2 MET B 17 35.099 -1.387 -4.116 1.00 0.00 H new ATOM 0 HE3 MET B 17 35.924 -2.932 -3.800 1.00 0.00 H new ATOM 571 N ILE B 18 38.327 0.234 -6.859 1.00 0.00 N ATOM 572 CA ILE B 18 38.595 -0.620 -8.011 1.00 0.00 C ATOM 573 C ILE B 18 39.983 -0.335 -8.570 1.00 0.00 C ATOM 574 O ILE B 18 40.734 -1.255 -8.892 1.00 0.00 O ATOM 575 CB ILE B 18 37.544 -0.375 -9.099 1.00 0.00 C ATOM 576 CG1 ILE B 18 36.160 -0.771 -8.564 1.00 0.00 C ATOM 577 CG2 ILE B 18 37.876 -1.228 -10.334 1.00 0.00 C ATOM 578 CD1 ILE B 18 35.084 -0.369 -9.576 1.00 0.00 C ATOM 0 H ILE B 18 37.549 0.882 -6.982 1.00 0.00 H new ATOM 0 HA ILE B 18 38.548 -1.661 -7.690 1.00 0.00 H new ATOM 0 HB ILE B 18 37.543 0.679 -9.375 1.00 0.00 H new ATOM 0 HG12 ILE B 18 36.122 -1.846 -8.385 1.00 0.00 H new ATOM 0 HG13 ILE B 18 35.975 -0.282 -7.608 1.00 0.00 H new ATOM 0 HG21 ILE B 18 37.129 -1.054 -11.108 1.00 0.00 H new ATOM 0 HG22 ILE B 18 38.861 -0.953 -10.712 1.00 0.00 H new ATOM 0 HG23 ILE B 18 37.874 -2.283 -10.059 1.00 0.00 H new ATOM 0 HD11 ILE B 18 34.102 -0.651 -9.195 1.00 0.00 H new ATOM 0 HD12 ILE B 18 35.117 0.709 -9.733 1.00 0.00 H new ATOM 0 HD13 ILE B 18 35.266 -0.879 -10.522 1.00 0.00 H new ATOM 590 N ASP B 19 40.317 0.945 -8.682 1.00 0.00 N ATOM 591 CA ASP B 19 41.616 1.340 -9.205 1.00 0.00 C ATOM 592 C ASP B 19 42.733 0.770 -8.341 1.00 0.00 C ATOM 593 O ASP B 19 43.737 0.277 -8.852 1.00 0.00 O ATOM 594 CB ASP B 19 41.722 2.865 -9.239 1.00 0.00 C ATOM 595 CG ASP B 19 42.963 3.284 -10.017 1.00 0.00 C ATOM 596 OD1 ASP B 19 43.053 2.939 -11.183 1.00 0.00 O ATOM 597 OD2 ASP B 19 43.807 3.945 -9.434 1.00 0.00 O ATOM 0 H ASP B 19 39.710 1.721 -8.419 1.00 0.00 H new ATOM 0 HA ASP B 19 41.717 0.947 -10.217 1.00 0.00 H new ATOM 0 HB2 ASP B 19 40.832 3.289 -9.703 1.00 0.00 H new ATOM 0 HB3 ASP B 19 41.770 3.257 -8.223 1.00 0.00 H new ATOM 602 N GLY B 20 42.549 0.841 -7.027 1.00 0.00 N ATOM 603 CA GLY B 20 43.546 0.328 -6.098 1.00 0.00 C ATOM 604 C GLY B 20 43.702 -1.179 -6.242 1.00 0.00 C ATOM 605 O GLY B 20 44.811 -1.709 -6.165 1.00 0.00 O ATOM 0 H GLY B 20 41.724 1.246 -6.585 1.00 0.00 H new ATOM 0 HA2 GLY B 20 44.504 0.815 -6.281 1.00 0.00 H new ATOM 0 HA3 GLY B 20 43.255 0.571 -5.076 1.00 0.00 H new ATOM 609 N TRP B 21 42.583 -1.870 -6.448 1.00 0.00 N ATOM 610 CA TRP B 21 42.612 -3.321 -6.599 1.00 0.00 C ATOM 611 C TRP B 21 43.446 -3.714 -7.822 1.00 0.00 C ATOM 612 O TRP B 21 44.237 -4.656 -7.770 1.00 0.00 O ATOM 613 CB TRP B 21 41.171 -3.862 -6.751 1.00 0.00 C ATOM 614 CG TRP B 21 41.117 -5.288 -6.288 1.00 0.00 C ATOM 615 CD1 TRP B 21 41.299 -6.370 -7.079 1.00 0.00 C ATOM 616 CD2 TRP B 21 40.867 -5.798 -4.949 1.00 0.00 C ATOM 617 NE1 TRP B 21 41.179 -7.512 -6.306 1.00 0.00 N ATOM 618 CE2 TRP B 21 40.911 -7.207 -4.985 1.00 0.00 C ATOM 619 CE3 TRP B 21 40.607 -5.173 -3.712 1.00 0.00 C ATOM 620 CZ2 TRP B 21 40.709 -7.975 -3.845 1.00 0.00 C ATOM 621 CZ3 TRP B 21 40.401 -5.950 -2.554 1.00 0.00 C ATOM 622 CH2 TRP B 21 40.453 -7.351 -2.626 1.00 0.00 C ATOM 0 H TRP B 21 41.654 -1.453 -6.514 1.00 0.00 H new ATOM 0 HA TRP B 21 43.068 -3.756 -5.710 1.00 0.00 H new ATOM 0 HB2 TRP B 21 40.480 -3.253 -6.168 1.00 0.00 H new ATOM 0 HB3 TRP B 21 40.855 -3.795 -7.792 1.00 0.00 H new ATOM 0 HD1 TRP B 21 41.504 -6.347 -8.139 1.00 0.00 H new ATOM 0 HE1 TRP B 21 41.276 -8.461 -6.667 1.00 0.00 H new ATOM 0 HE3 TRP B 21 40.566 -4.095 -3.652 1.00 0.00 H new ATOM 0 HZ2 TRP B 21 40.750 -9.053 -3.904 1.00 0.00 H new ATOM 0 HZ3 TRP B 21 40.203 -5.466 -1.609 1.00 0.00 H new ATOM 0 HH2 TRP B 21 40.295 -7.944 -1.738 1.00 0.00 H new ATOM 633 N TYR B 22 43.259 -2.983 -8.918 1.00 0.00 N ATOM 634 CA TYR B 22 43.996 -3.259 -10.150 1.00 0.00 C ATOM 635 C TYR B 22 45.452 -2.805 -10.023 1.00 0.00 C ATOM 636 O TYR B 22 46.366 -3.486 -10.489 1.00 0.00 O ATOM 637 CB TYR B 22 43.323 -2.533 -11.337 1.00 0.00 C ATOM 638 CG TYR B 22 42.224 -3.409 -11.911 1.00 0.00 C ATOM 639 CD1 TYR B 22 42.555 -4.505 -12.715 1.00 0.00 C ATOM 640 CD2 TYR B 22 40.881 -3.122 -11.637 1.00 0.00 C ATOM 641 CE1 TYR B 22 41.546 -5.316 -13.245 1.00 0.00 C ATOM 642 CE2 TYR B 22 39.872 -3.933 -12.167 1.00 0.00 C ATOM 643 CZ TYR B 22 40.204 -5.030 -12.971 1.00 0.00 C ATOM 644 OH TYR B 22 39.209 -5.829 -13.493 1.00 0.00 O ATOM 0 H TYR B 22 42.608 -2.200 -8.979 1.00 0.00 H new ATOM 0 HA TYR B 22 43.983 -4.334 -10.328 1.00 0.00 H new ATOM 0 HB2 TYR B 22 42.908 -1.581 -11.006 1.00 0.00 H new ATOM 0 HB3 TYR B 22 44.062 -2.309 -12.106 1.00 0.00 H new ATOM 0 HD1 TYR B 22 43.591 -4.725 -12.927 1.00 0.00 H new ATOM 0 HD2 TYR B 22 40.625 -2.276 -11.017 1.00 0.00 H new ATOM 0 HE1 TYR B 22 41.803 -6.162 -13.865 1.00 0.00 H new ATOM 0 HE2 TYR B 22 38.836 -3.713 -11.956 1.00 0.00 H new ATOM 0 HH TYR B 22 38.335 -5.493 -13.205 1.00 0.00 H new ATOM 654 N GLY B 23 45.658 -1.655 -9.391 1.00 0.00 N ATOM 655 CA GLY B 23 47.006 -1.127 -9.213 1.00 0.00 C ATOM 656 C GLY B 23 47.762 -1.915 -8.155 1.00 0.00 C ATOM 657 O GLY B 23 48.340 -1.340 -7.234 1.00 0.00 O ATOM 0 H GLY B 23 44.917 -1.075 -8.997 1.00 0.00 H new ATOM 0 HA2 GLY B 23 47.546 -1.170 -10.159 1.00 0.00 H new ATOM 0 HA3 GLY B 23 46.954 -0.078 -8.923 1.00 0.00 H new ATOM 661 N SER B 24 47.754 -3.237 -8.290 1.00 0.00 N ATOM 662 CA SER B 24 48.445 -4.097 -7.335 1.00 0.00 C ATOM 663 C SER B 24 49.935 -3.766 -7.299 1.00 0.00 C ATOM 664 O SER B 24 50.300 -2.712 -7.790 1.00 0.00 O ATOM 665 CB SER B 24 48.256 -5.560 -7.719 1.00 0.00 C ATOM 666 OG SER B 24 49.082 -6.375 -6.890 1.00 0.00 O ATOM 0 H SER B 24 47.281 -3.734 -9.045 1.00 0.00 H new ATOM 0 HA SER B 24 48.021 -3.925 -6.346 1.00 0.00 H new ATOM 0 HB2 SER B 24 47.211 -5.846 -7.604 1.00 0.00 H new ATOM 0 HB3 SER B 24 48.514 -5.709 -8.768 1.00 0.00 H new ATOM 0 HG SER B 24 48.962 -7.317 -7.133 1.00 0.00 H new TER 672 SER B 24 ATOM 673 N GLY C 1 4.034 -2.777 5.639 1.00 0.00 N ATOM 674 CA GLY C 1 3.781 -4.173 5.178 1.00 0.00 C ATOM 675 C GLY C 1 2.350 -4.291 4.691 1.00 0.00 C ATOM 676 O GLY C 1 1.847 -3.405 4.017 1.00 0.00 O ATOM 0 H1 GLY C 1 5.052 -2.573 5.586 1.00 0.00 H new ATOM 0 H2 GLY C 1 3.515 -2.111 5.031 1.00 0.00 H new ATOM 0 H3 GLY C 1 3.711 -2.672 6.622 1.00 0.00 H new ATOM 0 HA2 GLY C 1 4.472 -4.434 4.377 1.00 0.00 H new ATOM 0 HA3 GLY C 1 3.958 -4.875 5.993 1.00 0.00 H new ATOM 682 N LEU C 2 1.697 -5.397 5.030 1.00 0.00 N ATOM 683 CA LEU C 2 0.314 -5.610 4.603 1.00 0.00 C ATOM 684 C LEU C 2 -0.528 -4.352 4.862 1.00 0.00 C ATOM 685 O LEU C 2 -1.010 -3.709 3.927 1.00 0.00 O ATOM 686 CB LEU C 2 -0.285 -6.807 5.381 1.00 0.00 C ATOM 687 CG LEU C 2 -1.813 -6.867 5.180 1.00 0.00 C ATOM 688 CD1 LEU C 2 -2.131 -6.981 3.692 1.00 0.00 C ATOM 689 CD2 LEU C 2 -2.370 -8.087 5.914 1.00 0.00 C ATOM 0 H LEU C 2 2.093 -6.151 5.591 1.00 0.00 H new ATOM 0 HA LEU C 2 0.303 -5.823 3.534 1.00 0.00 H new ATOM 0 HB2 LEU C 2 0.170 -7.736 5.038 1.00 0.00 H new ATOM 0 HB3 LEU C 2 -0.055 -6.711 6.442 1.00 0.00 H new ATOM 0 HG LEU C 2 -2.268 -5.960 5.577 1.00 0.00 H new ATOM 0 HD11 LEU C 2 -3.211 -7.023 3.553 1.00 0.00 H new ATOM 0 HD12 LEU C 2 -1.731 -6.113 3.167 1.00 0.00 H new ATOM 0 HD13 LEU C 2 -1.678 -7.888 3.292 1.00 0.00 H new ATOM 0 HD21 LEU C 2 -3.450 -8.134 5.775 1.00 0.00 H new ATOM 0 HD22 LEU C 2 -1.913 -8.992 5.514 1.00 0.00 H new ATOM 0 HD23 LEU C 2 -2.144 -8.006 6.977 1.00 0.00 H new ATOM 701 N PHE C 3 -0.702 -4.017 6.133 1.00 0.00 N ATOM 702 CA PHE C 3 -1.489 -2.849 6.503 1.00 0.00 C ATOM 703 C PHE C 3 -0.853 -1.581 5.951 1.00 0.00 C ATOM 704 O PHE C 3 -1.547 -0.675 5.479 1.00 0.00 O ATOM 705 CB PHE C 3 -1.594 -2.749 8.029 1.00 0.00 C ATOM 706 CG PHE C 3 -2.451 -3.887 8.559 1.00 0.00 C ATOM 707 CD1 PHE C 3 -3.831 -3.893 8.319 1.00 0.00 C ATOM 708 CD2 PHE C 3 -1.862 -4.932 9.286 1.00 0.00 C ATOM 709 CE1 PHE C 3 -4.623 -4.940 8.807 1.00 0.00 C ATOM 710 CE2 PHE C 3 -2.655 -5.979 9.773 1.00 0.00 C ATOM 711 CZ PHE C 3 -4.034 -5.983 9.534 1.00 0.00 C ATOM 0 H PHE C 3 -0.311 -4.534 6.921 1.00 0.00 H new ATOM 0 HA PHE C 3 -2.487 -2.957 6.078 1.00 0.00 H new ATOM 0 HB2 PHE C 3 -0.600 -2.791 8.475 1.00 0.00 H new ATOM 0 HB3 PHE C 3 -2.030 -1.791 8.311 1.00 0.00 H new ATOM 0 HD1 PHE C 3 -4.285 -3.090 7.757 1.00 0.00 H new ATOM 0 HD2 PHE C 3 -0.798 -4.929 9.470 1.00 0.00 H new ATOM 0 HE1 PHE C 3 -5.687 -4.943 8.623 1.00 0.00 H new ATOM 0 HE2 PHE C 3 -2.202 -6.784 10.333 1.00 0.00 H new ATOM 0 HZ PHE C 3 -4.645 -6.791 9.910 1.00 0.00 H new ATOM 721 N GLY C 4 0.468 -1.526 6.012 1.00 0.00 N ATOM 722 CA GLY C 4 1.198 -0.371 5.519 1.00 0.00 C ATOM 723 C GLY C 4 0.993 -0.194 4.019 1.00 0.00 C ATOM 724 O GLY C 4 0.953 0.930 3.516 1.00 0.00 O ATOM 0 H GLY C 4 1.055 -2.266 6.397 1.00 0.00 H new ATOM 0 HA2 GLY C 4 0.865 0.525 6.043 1.00 0.00 H new ATOM 0 HA3 GLY C 4 2.260 -0.489 5.733 1.00 0.00 H new ATOM 728 N ALA C 5 0.870 -1.308 3.308 1.00 0.00 N ATOM 729 CA ALA C 5 0.676 -1.264 1.866 1.00 0.00 C ATOM 730 C ALA C 5 -0.638 -0.594 1.521 1.00 0.00 C ATOM 731 O ALA C 5 -0.702 0.232 0.615 1.00 0.00 O ATOM 732 CB ALA C 5 0.696 -2.682 1.290 1.00 0.00 C ATOM 0 H ALA C 5 0.901 -2.247 3.704 1.00 0.00 H new ATOM 0 HA ALA C 5 1.489 -0.684 1.430 1.00 0.00 H new ATOM 0 HB1 ALA C 5 0.550 -2.638 0.211 1.00 0.00 H new ATOM 0 HB2 ALA C 5 1.656 -3.150 1.508 1.00 0.00 H new ATOM 0 HB3 ALA C 5 -0.104 -3.269 1.741 1.00 0.00 H new ATOM 738 N ILE C 6 -1.683 -0.948 2.249 1.00 0.00 N ATOM 739 CA ILE C 6 -2.998 -0.362 2.007 1.00 0.00 C ATOM 740 C ILE C 6 -2.933 1.153 2.149 1.00 0.00 C ATOM 741 O ILE C 6 -3.452 1.893 1.305 1.00 0.00 O ATOM 742 CB ILE C 6 -4.020 -0.933 3.002 1.00 0.00 C ATOM 743 CG1 ILE C 6 -4.019 -2.467 2.904 1.00 0.00 C ATOM 744 CG2 ILE C 6 -5.422 -0.403 2.672 1.00 0.00 C ATOM 745 CD1 ILE C 6 -5.022 -3.061 3.922 1.00 0.00 C ATOM 0 H ILE C 6 -1.652 -1.631 3.006 1.00 0.00 H new ATOM 0 HA ILE C 6 -3.309 -0.610 0.992 1.00 0.00 H new ATOM 0 HB ILE C 6 -3.750 -0.626 4.013 1.00 0.00 H new ATOM 0 HG12 ILE C 6 -4.287 -2.776 1.894 1.00 0.00 H new ATOM 0 HG13 ILE C 6 -3.018 -2.852 3.100 1.00 0.00 H new ATOM 0 HG21 ILE C 6 -6.142 -0.812 3.381 1.00 0.00 H new ATOM 0 HG22 ILE C 6 -5.425 0.685 2.739 1.00 0.00 H new ATOM 0 HG23 ILE C 6 -5.697 -0.705 1.661 1.00 0.00 H new ATOM 0 HD11 ILE C 6 -5.016 -4.148 3.847 1.00 0.00 H new ATOM 0 HD12 ILE C 6 -4.734 -2.765 4.931 1.00 0.00 H new ATOM 0 HD13 ILE C 6 -6.023 -2.688 3.706 1.00 0.00 H new ATOM 757 N ALA C 7 -2.294 1.611 3.216 1.00 0.00 N ATOM 758 CA ALA C 7 -2.167 3.047 3.458 1.00 0.00 C ATOM 759 C ALA C 7 -1.303 3.696 2.369 1.00 0.00 C ATOM 760 O ALA C 7 -1.675 4.720 1.798 1.00 0.00 O ATOM 761 CB ALA C 7 -1.541 3.295 4.856 1.00 0.00 C ATOM 0 H ALA C 7 -1.858 1.019 3.923 1.00 0.00 H new ATOM 0 HA ALA C 7 -3.159 3.498 3.429 1.00 0.00 H new ATOM 0 HB1 ALA C 7 -1.450 4.367 5.029 1.00 0.00 H new ATOM 0 HB2 ALA C 7 -2.179 2.857 5.623 1.00 0.00 H new ATOM 0 HB3 ALA C 7 -0.554 2.835 4.899 1.00 0.00 H new ATOM 767 N ALA C 8 -0.161 3.090 2.092 1.00 0.00 N ATOM 768 CA ALA C 8 0.738 3.613 1.073 1.00 0.00 C ATOM 769 C ALA C 8 0.067 3.575 -0.305 1.00 0.00 C ATOM 770 O ALA C 8 0.414 4.349 -1.196 1.00 0.00 O ATOM 771 CB ALA C 8 2.035 2.784 1.047 1.00 0.00 C ATOM 0 H ALA C 8 0.166 2.241 2.554 1.00 0.00 H new ATOM 0 HA ALA C 8 0.977 4.649 1.315 1.00 0.00 H new ATOM 0 HB1 ALA C 8 2.704 3.179 0.283 1.00 0.00 H new ATOM 0 HB2 ALA C 8 2.522 2.840 2.020 1.00 0.00 H new ATOM 0 HB3 ALA C 8 1.798 1.745 0.819 1.00 0.00 H new ATOM 777 N PHE C 9 -0.894 2.670 -0.466 1.00 0.00 N ATOM 778 CA PHE C 9 -1.608 2.537 -1.732 1.00 0.00 C ATOM 779 C PHE C 9 -2.500 3.750 -1.986 1.00 0.00 C ATOM 780 O PHE C 9 -2.603 4.231 -3.114 1.00 0.00 O ATOM 781 CB PHE C 9 -2.476 1.277 -1.707 1.00 0.00 C ATOM 782 CG PHE C 9 -3.027 1.020 -3.093 1.00 0.00 C ATOM 783 CD1 PHE C 9 -2.224 0.407 -4.063 1.00 0.00 C ATOM 784 CD2 PHE C 9 -4.340 1.396 -3.407 1.00 0.00 C ATOM 785 CE1 PHE C 9 -2.733 0.170 -5.345 1.00 0.00 C ATOM 786 CE2 PHE C 9 -4.849 1.158 -4.689 1.00 0.00 C ATOM 787 CZ PHE C 9 -4.045 0.545 -5.659 1.00 0.00 C ATOM 0 H PHE C 9 -1.195 2.021 0.261 1.00 0.00 H new ATOM 0 HA PHE C 9 -0.870 2.468 -2.531 1.00 0.00 H new ATOM 0 HB2 PHE C 9 -1.887 0.423 -1.373 1.00 0.00 H new ATOM 0 HB3 PHE C 9 -3.293 1.398 -0.995 1.00 0.00 H new ATOM 0 HD1 PHE C 9 -1.212 0.117 -3.822 1.00 0.00 H new ATOM 0 HD2 PHE C 9 -4.959 1.870 -2.660 1.00 0.00 H new ATOM 0 HE1 PHE C 9 -2.113 -0.303 -6.093 1.00 0.00 H new ATOM 0 HE2 PHE C 9 -5.861 1.447 -4.930 1.00 0.00 H new ATOM 0 HZ PHE C 9 -4.437 0.362 -6.649 1.00 0.00 H new ATOM 797 N ILE C 10 -3.144 4.238 -0.923 1.00 0.00 N ATOM 798 CA ILE C 10 -4.031 5.400 -1.040 1.00 0.00 C ATOM 799 C ILE C 10 -3.229 6.694 -1.109 1.00 0.00 C ATOM 800 O ILE C 10 -3.554 7.591 -1.888 1.00 0.00 O ATOM 801 CB ILE C 10 -4.990 5.457 0.152 1.00 0.00 C ATOM 802 CG1 ILE C 10 -5.770 4.137 0.236 1.00 0.00 C ATOM 803 CG2 ILE C 10 -5.977 6.623 -0.033 1.00 0.00 C ATOM 804 CD1 ILE C 10 -6.624 4.121 1.512 1.00 0.00 C ATOM 0 H ILE C 10 -3.070 3.853 0.019 1.00 0.00 H new ATOM 0 HA ILE C 10 -4.603 5.293 -1.962 1.00 0.00 H new ATOM 0 HB ILE C 10 -4.422 5.608 1.070 1.00 0.00 H new ATOM 0 HG12 ILE C 10 -6.407 4.023 -0.641 1.00 0.00 H new ATOM 0 HG13 ILE C 10 -5.079 3.294 0.239 1.00 0.00 H new ATOM 0 HG21 ILE C 10 -6.658 6.661 0.817 1.00 0.00 H new ATOM 0 HG22 ILE C 10 -5.425 7.560 -0.098 1.00 0.00 H new ATOM 0 HG23 ILE C 10 -6.548 6.474 -0.949 1.00 0.00 H new ATOM 0 HD11 ILE C 10 -7.176 3.183 1.568 1.00 0.00 H new ATOM 0 HD12 ILE C 10 -5.977 4.214 2.384 1.00 0.00 H new ATOM 0 HD13 ILE C 10 -7.326 4.955 1.490 1.00 0.00 H new ATOM 816 N GLU C 11 -2.184 6.793 -0.289 1.00 0.00 N ATOM 817 CA GLU C 11 -1.354 7.995 -0.271 1.00 0.00 C ATOM 818 C GLU C 11 -0.954 8.395 -1.691 1.00 0.00 C ATOM 819 O GLU C 11 -0.788 9.579 -1.987 1.00 0.00 O ATOM 820 CB GLU C 11 -0.085 7.743 0.578 1.00 0.00 C ATOM 821 CG GLU C 11 -0.368 8.073 2.056 1.00 0.00 C ATOM 822 CD GLU C 11 -1.588 7.299 2.546 1.00 0.00 C ATOM 823 OE1 GLU C 11 -2.672 7.567 2.055 1.00 0.00 O ATOM 824 OE2 GLU C 11 -1.421 6.450 3.407 1.00 0.00 O ATOM 0 H GLU C 11 -1.895 6.065 0.364 1.00 0.00 H new ATOM 0 HA GLU C 11 -1.931 8.808 0.170 1.00 0.00 H new ATOM 0 HB2 GLU C 11 0.227 6.703 0.482 1.00 0.00 H new ATOM 0 HB3 GLU C 11 0.737 8.357 0.210 1.00 0.00 H new ATOM 0 HG2 GLU C 11 0.500 7.821 2.665 1.00 0.00 H new ATOM 0 HG3 GLU C 11 -0.538 9.144 2.171 1.00 0.00 H new ATOM 831 N GLY C 12 -0.795 7.404 -2.559 1.00 0.00 N ATOM 832 CA GLY C 12 -0.407 7.672 -3.937 1.00 0.00 C ATOM 833 C GLY C 12 -1.518 8.392 -4.677 1.00 0.00 C ATOM 834 O GLY C 12 -1.412 8.653 -5.875 1.00 0.00 O ATOM 0 H GLY C 12 -0.927 6.417 -2.336 1.00 0.00 H new ATOM 0 HA2 GLY C 12 0.499 8.277 -3.954 1.00 0.00 H new ATOM 0 HA3 GLY C 12 -0.174 6.735 -4.443 1.00 0.00 H new ATOM 838 N GLY C 13 -2.583 8.724 -3.953 1.00 0.00 N ATOM 839 CA GLY C 13 -3.713 9.432 -4.549 1.00 0.00 C ATOM 840 C GLY C 13 -4.645 8.472 -5.276 1.00 0.00 C ATOM 841 O GLY C 13 -4.295 7.912 -6.314 1.00 0.00 O ATOM 0 H GLY C 13 -2.688 8.516 -2.960 1.00 0.00 H new ATOM 0 HA2 GLY C 13 -4.265 9.960 -3.772 1.00 0.00 H new ATOM 0 HA3 GLY C 13 -3.346 10.185 -5.247 1.00 0.00 H new ATOM 845 N TRP C 14 -5.835 8.293 -4.721 1.00 0.00 N ATOM 846 CA TRP C 14 -6.827 7.407 -5.315 1.00 0.00 C ATOM 847 C TRP C 14 -7.297 7.960 -6.671 1.00 0.00 C ATOM 848 O TRP C 14 -7.586 7.202 -7.596 1.00 0.00 O ATOM 849 CB TRP C 14 -8.033 7.258 -4.353 1.00 0.00 C ATOM 850 CG TRP C 14 -8.994 8.389 -4.556 1.00 0.00 C ATOM 851 CD1 TRP C 14 -8.681 9.700 -4.471 1.00 0.00 C ATOM 852 CD2 TRP C 14 -10.407 8.323 -4.871 1.00 0.00 C ATOM 853 NE1 TRP C 14 -9.819 10.444 -4.720 1.00 0.00 N ATOM 854 CE2 TRP C 14 -10.910 9.637 -4.972 1.00 0.00 C ATOM 855 CE3 TRP C 14 -11.295 7.254 -5.079 1.00 0.00 C ATOM 856 CZ2 TRP C 14 -12.242 9.890 -5.268 1.00 0.00 C ATOM 857 CZ3 TRP C 14 -12.650 7.506 -5.380 1.00 0.00 C ATOM 858 CH2 TRP C 14 -13.117 8.827 -5.473 1.00 0.00 C ATOM 0 H TRP C 14 -6.138 8.749 -3.860 1.00 0.00 H new ATOM 0 HA TRP C 14 -6.375 6.429 -5.480 1.00 0.00 H new ATOM 0 HB2 TRP C 14 -8.535 6.307 -4.531 1.00 0.00 H new ATOM 0 HB3 TRP C 14 -7.685 7.246 -3.320 1.00 0.00 H new ATOM 0 HD1 TRP C 14 -7.704 10.101 -4.246 1.00 0.00 H new ATOM 0 HE1 TRP C 14 -9.849 11.464 -4.718 1.00 0.00 H new ATOM 0 HE3 TRP C 14 -10.939 6.237 -5.008 1.00 0.00 H new ATOM 0 HZ2 TRP C 14 -12.598 10.907 -5.339 1.00 0.00 H new ATOM 0 HZ3 TRP C 14 -13.329 6.682 -5.539 1.00 0.00 H new ATOM 0 HH2 TRP C 14 -14.155 9.018 -5.703 1.00 0.00 H new ATOM 869 N THR C 15 -7.372 9.291 -6.768 1.00 0.00 N ATOM 870 CA THR C 15 -7.810 9.934 -8.003 1.00 0.00 C ATOM 871 C THR C 15 -6.745 9.789 -9.083 1.00 0.00 C ATOM 872 O THR C 15 -7.055 9.534 -10.246 1.00 0.00 O ATOM 873 CB THR C 15 -8.096 11.427 -7.752 1.00 0.00 C ATOM 874 OG1 THR C 15 -8.811 11.571 -6.540 1.00 0.00 O ATOM 875 CG2 THR C 15 -8.931 11.995 -8.899 1.00 0.00 C ATOM 0 H THR C 15 -7.137 9.935 -6.013 1.00 0.00 H new ATOM 0 HA THR C 15 -8.725 9.447 -8.341 1.00 0.00 H new ATOM 0 HB THR C 15 -7.151 11.967 -7.690 1.00 0.00 H new ATOM 0 HG1 THR C 15 -9.184 10.704 -6.275 1.00 0.00 H new ATOM 0 HG21 THR C 15 -9.130 13.051 -8.716 1.00 0.00 H new ATOM 0 HG22 THR C 15 -8.384 11.886 -9.836 1.00 0.00 H new ATOM 0 HG23 THR C 15 -9.875 11.454 -8.965 1.00 0.00 H new ATOM 883 N GLY C 16 -5.485 9.958 -8.687 1.00 0.00 N ATOM 884 CA GLY C 16 -4.379 9.848 -9.626 1.00 0.00 C ATOM 885 C GLY C 16 -4.499 8.579 -10.459 1.00 0.00 C ATOM 886 O GLY C 16 -4.238 8.586 -11.659 1.00 0.00 O ATOM 0 H GLY C 16 -5.209 10.170 -7.728 1.00 0.00 H new ATOM 0 HA2 GLY C 16 -4.365 10.719 -10.282 1.00 0.00 H new ATOM 0 HA3 GLY C 16 -3.434 9.843 -9.083 1.00 0.00 H new ATOM 890 N MET C 17 -4.890 7.488 -9.808 1.00 0.00 N ATOM 891 CA MET C 17 -5.034 6.208 -10.496 1.00 0.00 C ATOM 892 C MET C 17 -6.189 6.257 -11.501 1.00 0.00 C ATOM 893 O MET C 17 -6.026 5.896 -12.665 1.00 0.00 O ATOM 894 CB MET C 17 -5.283 5.098 -9.479 1.00 0.00 C ATOM 895 CG MET C 17 -5.349 3.752 -10.193 1.00 0.00 C ATOM 896 SD MET C 17 -5.323 2.418 -8.966 1.00 0.00 S ATOM 897 CE MET C 17 -7.101 2.369 -8.640 1.00 0.00 C ATOM 0 H MET C 17 -5.112 7.463 -8.813 1.00 0.00 H new ATOM 0 HA MET C 17 -4.111 6.004 -11.039 1.00 0.00 H new ATOM 0 HB2 MET C 17 -4.486 5.087 -8.735 1.00 0.00 H new ATOM 0 HB3 MET C 17 -6.215 5.283 -8.945 1.00 0.00 H new ATOM 0 HG2 MET C 17 -6.256 3.691 -10.794 1.00 0.00 H new ATOM 0 HG3 MET C 17 -4.506 3.649 -10.877 1.00 0.00 H new ATOM 0 HE1 MET C 17 -7.314 1.600 -7.897 1.00 0.00 H new ATOM 0 HE2 MET C 17 -7.429 3.338 -8.264 1.00 0.00 H new ATOM 0 HE3 MET C 17 -7.634 2.139 -9.563 1.00 0.00 H new ATOM 907 N ILE C 18 -7.350 6.705 -11.043 1.00 0.00 N ATOM 908 CA ILE C 18 -8.519 6.794 -11.912 1.00 0.00 C ATOM 909 C ILE C 18 -8.253 7.755 -13.065 1.00 0.00 C ATOM 910 O ILE C 18 -8.610 7.480 -14.211 1.00 0.00 O ATOM 911 CB ILE C 18 -9.737 7.273 -11.111 1.00 0.00 C ATOM 912 CG1 ILE C 18 -10.122 6.188 -10.073 1.00 0.00 C ATOM 913 CG2 ILE C 18 -10.937 7.522 -12.073 1.00 0.00 C ATOM 914 CD1 ILE C 18 -11.179 6.745 -9.096 1.00 0.00 C ATOM 0 H ILE C 18 -7.509 7.011 -10.083 1.00 0.00 H new ATOM 0 HA ILE C 18 -8.723 5.803 -12.318 1.00 0.00 H new ATOM 0 HB ILE C 18 -9.492 8.203 -10.598 1.00 0.00 H new ATOM 0 HG12 ILE C 18 -10.514 5.308 -10.583 1.00 0.00 H new ATOM 0 HG13 ILE C 18 -9.237 5.870 -9.522 1.00 0.00 H new ATOM 0 HG21 ILE C 18 -11.799 7.862 -11.499 1.00 0.00 H new ATOM 0 HG22 ILE C 18 -10.665 8.283 -12.804 1.00 0.00 H new ATOM 0 HG23 ILE C 18 -11.188 6.595 -12.590 1.00 0.00 H new ATOM 0 HD11 ILE C 18 -11.444 5.976 -8.370 1.00 0.00 H new ATOM 0 HD12 ILE C 18 -10.772 7.612 -8.575 1.00 0.00 H new ATOM 0 HD13 ILE C 18 -12.068 7.041 -9.652 1.00 0.00 H new ATOM 926 N ASP C 19 -7.623 8.877 -12.754 1.00 0.00 N ATOM 927 CA ASP C 19 -7.310 9.871 -13.770 1.00 0.00 C ATOM 928 C ASP C 19 -6.347 9.294 -14.806 1.00 0.00 C ATOM 929 O ASP C 19 -6.522 9.494 -16.008 1.00 0.00 O ATOM 930 CB ASP C 19 -6.681 11.103 -13.118 1.00 0.00 C ATOM 931 CG ASP C 19 -6.623 12.251 -14.119 1.00 0.00 C ATOM 932 OD1 ASP C 19 -7.623 12.936 -14.262 1.00 0.00 O ATOM 933 OD2 ASP C 19 -5.581 12.428 -14.728 1.00 0.00 O ATOM 0 H ASP C 19 -7.319 9.122 -11.812 1.00 0.00 H new ATOM 0 HA ASP C 19 -8.236 10.157 -14.270 1.00 0.00 H new ATOM 0 HB2 ASP C 19 -7.263 11.400 -12.245 1.00 0.00 H new ATOM 0 HB3 ASP C 19 -5.677 10.866 -12.766 1.00 0.00 H new ATOM 938 N GLY C 20 -5.331 8.580 -14.331 1.00 0.00 N ATOM 939 CA GLY C 20 -4.348 7.980 -15.228 1.00 0.00 C ATOM 940 C GLY C 20 -4.992 6.926 -16.115 1.00 0.00 C ATOM 941 O GLY C 20 -4.611 6.758 -17.272 1.00 0.00 O ATOM 0 H GLY C 20 -5.167 8.404 -13.340 1.00 0.00 H new ATOM 0 HA2 GLY C 20 -3.895 8.754 -15.847 1.00 0.00 H new ATOM 0 HA3 GLY C 20 -3.546 7.529 -14.644 1.00 0.00 H new ATOM 945 N TRP C 21 -5.972 6.216 -15.566 1.00 0.00 N ATOM 946 CA TRP C 21 -6.662 5.180 -16.322 1.00 0.00 C ATOM 947 C TRP C 21 -7.317 5.778 -17.570 1.00 0.00 C ATOM 948 O TRP C 21 -7.090 5.316 -18.686 1.00 0.00 O ATOM 949 CB TRP C 21 -7.742 4.510 -15.433 1.00 0.00 C ATOM 950 CG TRP C 21 -7.902 3.064 -15.822 1.00 0.00 C ATOM 951 CD1 TRP C 21 -7.719 2.566 -17.069 1.00 0.00 C ATOM 952 CD2 TRP C 21 -8.269 1.940 -14.984 1.00 0.00 C ATOM 953 NE1 TRP C 21 -7.952 1.205 -17.041 1.00 0.00 N ATOM 954 CE2 TRP C 21 -8.295 0.772 -15.776 1.00 0.00 C ATOM 955 CE3 TRP C 21 -8.581 1.821 -13.617 1.00 0.00 C ATOM 956 CZ2 TRP C 21 -8.615 -0.467 -15.241 1.00 0.00 C ATOM 957 CZ3 TRP C 21 -8.908 0.564 -13.072 1.00 0.00 C ATOM 958 CH2 TRP C 21 -8.924 -0.577 -13.888 1.00 0.00 C ATOM 0 H TRP C 21 -6.303 6.338 -14.609 1.00 0.00 H new ATOM 0 HA TRP C 21 -5.934 4.430 -16.632 1.00 0.00 H new ATOM 0 HB2 TRP C 21 -7.458 4.584 -14.383 1.00 0.00 H new ATOM 0 HB3 TRP C 21 -8.692 5.033 -15.544 1.00 0.00 H new ATOM 0 HD1 TRP C 21 -7.438 3.139 -17.940 1.00 0.00 H new ATOM 0 HE1 TRP C 21 -7.880 0.595 -17.855 1.00 0.00 H new ATOM 0 HE3 TRP C 21 -8.570 2.696 -12.984 1.00 0.00 H new ATOM 0 HZ2 TRP C 21 -8.624 -1.344 -15.872 1.00 0.00 H new ATOM 0 HZ3 TRP C 21 -9.147 0.478 -12.022 1.00 0.00 H new ATOM 0 HH2 TRP C 21 -9.176 -1.539 -13.467 1.00 0.00 H new ATOM 969 N TYR C 22 -8.124 6.815 -17.368 1.00 0.00 N ATOM 970 CA TYR C 22 -8.798 7.472 -18.481 1.00 0.00 C ATOM 971 C TYR C 22 -7.788 8.214 -19.353 1.00 0.00 C ATOM 972 O TYR C 22 -7.875 8.188 -20.580 1.00 0.00 O ATOM 973 CB TYR C 22 -9.846 8.459 -17.952 1.00 0.00 C ATOM 974 CG TYR C 22 -11.032 7.689 -17.393 1.00 0.00 C ATOM 975 CD1 TYR C 22 -11.859 6.959 -18.256 1.00 0.00 C ATOM 976 CD2 TYR C 22 -11.301 7.707 -16.016 1.00 0.00 C ATOM 977 CE1 TYR C 22 -12.952 6.247 -17.745 1.00 0.00 C ATOM 978 CE2 TYR C 22 -12.396 6.995 -15.507 1.00 0.00 C ATOM 979 CZ TYR C 22 -13.221 6.267 -16.372 1.00 0.00 C ATOM 980 OH TYR C 22 -14.298 5.566 -15.868 1.00 0.00 O ATOM 0 H TYR C 22 -8.326 7.215 -16.452 1.00 0.00 H new ATOM 0 HA TYR C 22 -9.292 6.710 -19.084 1.00 0.00 H new ATOM 0 HB2 TYR C 22 -9.409 9.088 -17.176 1.00 0.00 H new ATOM 0 HB3 TYR C 22 -10.174 9.122 -18.753 1.00 0.00 H new ATOM 0 HD1 TYR C 22 -11.654 6.945 -19.316 1.00 0.00 H new ATOM 0 HD2 TYR C 22 -10.665 8.269 -15.349 1.00 0.00 H new ATOM 0 HE1 TYR C 22 -13.587 5.682 -18.411 1.00 0.00 H new ATOM 0 HE2 TYR C 22 -12.603 7.008 -14.447 1.00 0.00 H new ATOM 0 HH TYR C 22 -14.340 5.686 -14.896 1.00 0.00 H new ATOM 990 N GLY C 23 -6.832 8.871 -18.707 1.00 0.00 N ATOM 991 CA GLY C 23 -5.808 9.616 -19.429 1.00 0.00 C ATOM 992 C GLY C 23 -4.942 8.679 -20.263 1.00 0.00 C ATOM 993 O GLY C 23 -3.888 8.230 -19.815 1.00 0.00 O ATOM 0 H GLY C 23 -6.744 8.903 -17.691 1.00 0.00 H new ATOM 0 HA2 GLY C 23 -6.279 10.356 -20.077 1.00 0.00 H new ATOM 0 HA3 GLY C 23 -5.184 10.163 -18.722 1.00 0.00 H new ATOM 997 N SER C 24 -5.396 8.386 -21.479 1.00 0.00 N ATOM 998 CA SER C 24 -4.652 7.497 -22.371 1.00 0.00 C ATOM 999 C SER C 24 -3.175 7.884 -22.408 1.00 0.00 C ATOM 1000 O SER C 24 -2.421 7.339 -21.618 1.00 0.00 O ATOM 1001 CB SER C 24 -5.233 7.569 -23.780 1.00 0.00 C ATOM 1002 OG SER C 24 -4.578 6.610 -24.609 1.00 0.00 O ATOM 0 H SER C 24 -6.267 8.747 -21.868 1.00 0.00 H new ATOM 0 HA SER C 24 -4.739 6.479 -21.992 1.00 0.00 H new ATOM 0 HB2 SER C 24 -6.305 7.373 -23.754 1.00 0.00 H new ATOM 0 HB3 SER C 24 -5.102 8.571 -24.189 1.00 0.00 H new ATOM 0 HG SER C 24 -4.950 6.652 -25.515 1.00 0.00 H new TER 1008 SER C 24