USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 480 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 159:sc= -0.0702 (180deg=-0.698) 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+ -130:sc= 0.0493 (180deg=0) USER MOD Single : B 15 THR OG1 : rot -35:sc= 1.33 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+ -98:sc= 0.0565 (180deg=0) USER MOD Single : C 15 THR OG1 : rot 180:sc= 0 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 18.280 -4.414 7.144 1.00 0.00 N ATOM 2 CA GLY A 1 18.482 -4.575 5.674 1.00 0.00 C ATOM 3 C GLY A 1 17.128 -4.534 4.963 1.00 0.00 C ATOM 4 O GLY A 1 16.867 -3.628 4.187 1.00 0.00 O ATOM 0 H1 GLY A 1 19.201 -4.442 7.626 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.818 -3.502 7.333 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.680 -5.186 7.499 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.127 -3.782 5.296 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.985 -5.520 5.467 1.00 0.00 H new ATOM 10 N LEU A 2 16.265 -5.491 5.248 1.00 0.00 N ATOM 11 CA LEU A 2 14.945 -5.500 4.624 1.00 0.00 C ATOM 12 C LEU A 2 14.221 -4.173 4.913 1.00 0.00 C ATOM 13 O LEU A 2 13.690 -3.537 4.009 1.00 0.00 O ATOM 14 CB LEU A 2 14.104 -6.665 5.173 1.00 0.00 C ATOM 15 CG LEU A 2 12.718 -6.710 4.460 1.00 0.00 C ATOM 16 CD1 LEU A 2 12.875 -7.295 3.054 1.00 0.00 C ATOM 17 CD2 LEU A 2 11.758 -7.597 5.271 1.00 0.00 C ATOM 0 H LEU A 2 16.443 -6.260 5.894 1.00 0.00 H new ATOM 0 HA LEU A 2 15.070 -5.623 3.548 1.00 0.00 H new ATOM 0 HB2 LEU A 2 14.631 -7.607 5.020 1.00 0.00 H new ATOM 0 HB3 LEU A 2 13.965 -6.548 6.248 1.00 0.00 H new ATOM 0 HG LEU A 2 12.318 -5.698 4.388 1.00 0.00 H new ATOM 0 HD11 LEU A 2 11.903 -7.324 2.561 1.00 0.00 H new ATOM 0 HD12 LEU A 2 13.557 -6.672 2.475 1.00 0.00 H new ATOM 0 HD13 LEU A 2 13.277 -8.306 3.123 1.00 0.00 H new ATOM 0 HD21 LEU A 2 10.788 -7.631 4.776 1.00 0.00 H new ATOM 0 HD22 LEU A 2 12.165 -8.606 5.340 1.00 0.00 H new ATOM 0 HD23 LEU A 2 11.640 -7.184 6.273 1.00 0.00 H new ATOM 29 N PHE A 3 14.214 -3.766 6.183 1.00 0.00 N ATOM 30 CA PHE A 3 13.557 -2.523 6.567 1.00 0.00 C ATOM 31 C PHE A 3 14.240 -1.332 5.892 1.00 0.00 C ATOM 32 O PHE A 3 13.570 -0.445 5.362 1.00 0.00 O ATOM 33 CB PHE A 3 13.589 -2.348 8.091 1.00 0.00 C ATOM 34 CG PHE A 3 12.676 -3.362 8.743 1.00 0.00 C ATOM 35 CD1 PHE A 3 11.308 -3.101 8.848 1.00 0.00 C ATOM 36 CD2 PHE A 3 13.203 -4.560 9.247 1.00 0.00 C ATOM 37 CE1 PHE A 3 10.461 -4.037 9.456 1.00 0.00 C ATOM 38 CE2 PHE A 3 12.358 -5.495 9.854 1.00 0.00 C ATOM 39 CZ PHE A 3 10.987 -5.233 9.959 1.00 0.00 C ATOM 0 H PHE A 3 14.651 -4.274 6.952 1.00 0.00 H new ATOM 0 HA PHE A 3 12.518 -2.568 6.240 1.00 0.00 H new ATOM 0 HB2 PHE A 3 14.607 -2.472 8.459 1.00 0.00 H new ATOM 0 HB3 PHE A 3 13.275 -1.339 8.357 1.00 0.00 H new ATOM 0 HD1 PHE A 3 10.903 -2.178 8.461 1.00 0.00 H new ATOM 0 HD2 PHE A 3 14.261 -4.761 9.166 1.00 0.00 H new ATOM 0 HE1 PHE A 3 9.403 -3.836 9.537 1.00 0.00 H new ATOM 0 HE2 PHE A 3 12.763 -6.418 10.241 1.00 0.00 H new ATOM 0 HZ PHE A 3 10.334 -5.954 10.428 1.00 0.00 H new ATOM 49 N GLY A 4 15.558 -1.317 5.911 1.00 0.00 N ATOM 50 CA GLY A 4 16.304 -0.227 5.292 1.00 0.00 C ATOM 51 C GLY A 4 16.060 -0.187 3.784 1.00 0.00 C ATOM 52 O GLY A 4 16.062 0.881 3.175 1.00 0.00 O ATOM 0 H GLY A 4 16.135 -2.038 6.343 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.006 0.722 5.738 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.369 -0.352 5.489 1.00 0.00 H new ATOM 56 N ALA A 5 15.846 -1.359 3.193 1.00 0.00 N ATOM 57 CA ALA A 5 15.599 -1.451 1.756 1.00 0.00 C ATOM 58 C ALA A 5 14.280 -0.775 1.390 1.00 0.00 C ATOM 59 O ALA A 5 14.197 -0.064 0.395 1.00 0.00 O ATOM 60 CB ALA A 5 15.558 -2.921 1.327 1.00 0.00 C ATOM 0 H ALA A 5 15.838 -2.254 3.683 1.00 0.00 H new ATOM 0 HA ALA A 5 16.410 -0.941 1.235 1.00 0.00 H new ATOM 0 HB1 ALA A 5 15.373 -2.982 0.254 1.00 0.00 H new ATOM 0 HB2 ALA A 5 16.512 -3.394 1.559 1.00 0.00 H new ATOM 0 HB3 ALA A 5 14.759 -3.434 1.862 1.00 0.00 H new ATOM 66 N ILE A 6 13.253 -1.004 2.202 1.00 0.00 N ATOM 67 CA ILE A 6 11.940 -0.408 1.950 1.00 0.00 C ATOM 68 C ILE A 6 11.982 1.105 2.154 1.00 0.00 C ATOM 69 O ILE A 6 11.494 1.871 1.316 1.00 0.00 O ATOM 70 CB ILE A 6 10.900 -1.018 2.893 1.00 0.00 C ATOM 71 CG1 ILE A 6 10.876 -2.545 2.713 1.00 0.00 C ATOM 72 CG2 ILE A 6 9.517 -0.447 2.570 1.00 0.00 C ATOM 73 CD1 ILE A 6 10.096 -3.183 3.864 1.00 0.00 C ATOM 0 H ILE A 6 13.300 -1.592 3.034 1.00 0.00 H new ATOM 0 HA ILE A 6 11.665 -0.616 0.916 1.00 0.00 H new ATOM 0 HB ILE A 6 11.162 -0.776 3.923 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.414 -2.802 1.760 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.894 -2.935 2.689 1.00 0.00 H new ATOM 0 HG21 ILE A 6 8.778 -0.882 3.242 1.00 0.00 H new ATOM 0 HG22 ILE A 6 9.531 0.635 2.698 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.256 -0.687 1.539 1.00 0.00 H new ATOM 0 HD11 ILE A 6 10.079 -4.265 3.736 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.578 -2.937 4.810 1.00 0.00 H new ATOM 0 HD13 ILE A 6 9.075 -2.802 3.867 1.00 0.00 H new ATOM 85 N ALA A 7 12.573 1.533 3.270 1.00 0.00 N ATOM 86 CA ALA A 7 12.675 2.955 3.573 1.00 0.00 C ATOM 87 C ALA A 7 13.549 3.656 2.552 1.00 0.00 C ATOM 88 O ALA A 7 13.210 4.732 2.063 1.00 0.00 O ATOM 89 CB ALA A 7 13.270 3.143 4.967 1.00 0.00 C ATOM 0 H ALA A 7 12.985 0.918 3.972 1.00 0.00 H new ATOM 0 HA ALA A 7 11.676 3.390 3.538 1.00 0.00 H new ATOM 0 HB1 ALA A 7 13.345 4.207 5.190 1.00 0.00 H new ATOM 0 HB2 ALA A 7 12.628 2.662 5.705 1.00 0.00 H new ATOM 0 HB3 ALA A 7 14.263 2.694 5.002 1.00 0.00 H new ATOM 95 N ALA A 8 14.678 3.043 2.236 1.00 0.00 N ATOM 96 CA ALA A 8 15.601 3.615 1.273 1.00 0.00 C ATOM 97 C ALA A 8 14.995 3.613 -0.121 1.00 0.00 C ATOM 98 O ALA A 8 15.237 4.519 -0.907 1.00 0.00 O ATOM 99 CB ALA A 8 16.898 2.832 1.264 1.00 0.00 C ATOM 0 H ALA A 8 14.976 2.151 2.632 1.00 0.00 H new ATOM 0 HA ALA A 8 15.803 4.645 1.566 1.00 0.00 H new ATOM 0 HB1 ALA A 8 17.583 3.270 0.538 1.00 0.00 H new ATOM 0 HB2 ALA A 8 17.350 2.866 2.255 1.00 0.00 H new ATOM 0 HB3 ALA A 8 16.696 1.796 0.992 1.00 0.00 H new ATOM 105 N PHE A 9 14.188 2.589 -0.423 1.00 0.00 N ATOM 106 CA PHE A 9 13.550 2.498 -1.720 1.00 0.00 C ATOM 107 C PHE A 9 12.665 3.716 -1.958 1.00 0.00 C ATOM 108 O PHE A 9 12.600 4.236 -3.050 1.00 0.00 O ATOM 109 CB PHE A 9 12.706 1.204 -1.791 1.00 0.00 C ATOM 110 CG PHE A 9 11.801 1.240 -3.014 1.00 0.00 C ATOM 111 CD1 PHE A 9 12.356 1.260 -4.298 1.00 0.00 C ATOM 112 CD2 PHE A 9 10.406 1.254 -2.854 1.00 0.00 C ATOM 113 CE1 PHE A 9 11.520 1.296 -5.423 1.00 0.00 C ATOM 114 CE2 PHE A 9 9.573 1.289 -3.977 1.00 0.00 C ATOM 115 CZ PHE A 9 10.129 1.310 -5.261 1.00 0.00 C ATOM 0 H PHE A 9 13.969 1.823 0.214 1.00 0.00 H new ATOM 0 HA PHE A 9 14.316 2.470 -2.495 1.00 0.00 H new ATOM 0 HB2 PHE A 9 13.362 0.334 -1.839 1.00 0.00 H new ATOM 0 HB3 PHE A 9 12.106 1.101 -0.887 1.00 0.00 H new ATOM 0 HD1 PHE A 9 13.429 1.248 -4.423 1.00 0.00 H new ATOM 0 HD2 PHE A 9 9.976 1.238 -1.863 1.00 0.00 H new ATOM 0 HE1 PHE A 9 11.949 1.313 -6.414 1.00 0.00 H new ATOM 0 HE2 PHE A 9 8.500 1.300 -3.853 1.00 0.00 H new ATOM 0 HZ PHE A 9 9.485 1.337 -6.128 1.00 0.00 H new ATOM 125 N ILE A 10 11.996 4.149 -0.926 1.00 0.00 N ATOM 126 CA ILE A 10 11.113 5.309 -1.023 1.00 0.00 C ATOM 127 C ILE A 10 11.913 6.622 -1.124 1.00 0.00 C ATOM 128 O ILE A 10 11.516 7.545 -1.839 1.00 0.00 O ATOM 129 CB ILE A 10 10.205 5.365 0.195 1.00 0.00 C ATOM 130 CG1 ILE A 10 9.349 4.086 0.248 1.00 0.00 C ATOM 131 CG2 ILE A 10 9.278 6.601 0.092 1.00 0.00 C ATOM 132 CD1 ILE A 10 8.660 3.976 1.621 1.00 0.00 C ATOM 0 H ILE A 10 12.036 3.724 0.000 1.00 0.00 H new ATOM 0 HA ILE A 10 10.518 5.202 -1.930 1.00 0.00 H new ATOM 0 HB ILE A 10 10.809 5.440 1.099 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.601 4.105 -0.544 1.00 0.00 H new ATOM 0 HG13 ILE A 10 9.975 3.211 0.074 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.627 6.641 0.965 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.883 7.507 0.048 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.671 6.526 -0.810 1.00 0.00 H new ATOM 0 HD11 ILE A 10 8.056 3.069 1.653 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.416 3.936 2.405 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.020 4.844 1.778 1.00 0.00 H new ATOM 144 N GLU A 11 13.025 6.702 -0.396 1.00 0.00 N ATOM 145 CA GLU A 11 13.857 7.929 -0.393 1.00 0.00 C ATOM 146 C GLU A 11 14.818 7.983 -1.601 1.00 0.00 C ATOM 147 O GLU A 11 14.896 8.995 -2.290 1.00 0.00 O ATOM 148 CB GLU A 11 14.685 7.984 0.916 1.00 0.00 C ATOM 149 CG GLU A 11 13.866 8.663 2.024 1.00 0.00 C ATOM 150 CD GLU A 11 12.638 7.825 2.352 1.00 0.00 C ATOM 151 OE1 GLU A 11 12.784 6.855 3.076 1.00 0.00 O ATOM 152 OE2 GLU A 11 11.568 8.166 1.875 1.00 0.00 O ATOM 0 H GLU A 11 13.377 5.949 0.196 1.00 0.00 H new ATOM 0 HA GLU A 11 13.185 8.784 -0.461 1.00 0.00 H new ATOM 0 HB2 GLU A 11 14.963 6.976 1.223 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.611 8.533 0.748 1.00 0.00 H new ATOM 0 HG2 GLU A 11 14.480 8.788 2.916 1.00 0.00 H new ATOM 0 HG3 GLU A 11 13.561 9.659 1.704 1.00 0.00 H new ATOM 159 N GLY A 12 15.558 6.896 -1.829 1.00 0.00 N ATOM 160 CA GLY A 12 16.531 6.857 -2.942 1.00 0.00 C ATOM 161 C GLY A 12 16.088 5.910 -4.042 1.00 0.00 C ATOM 162 O GLY A 12 16.912 5.305 -4.714 1.00 0.00 O ATOM 0 H GLY A 12 15.510 6.042 -1.274 1.00 0.00 H new ATOM 0 HA2 GLY A 12 16.655 7.859 -3.353 1.00 0.00 H new ATOM 0 HA3 GLY A 12 17.504 6.545 -2.564 1.00 0.00 H new ATOM 166 N GLY A 13 14.783 5.796 -4.231 1.00 0.00 N ATOM 167 CA GLY A 13 14.243 4.925 -5.268 1.00 0.00 C ATOM 168 C GLY A 13 15.004 3.597 -5.335 1.00 0.00 C ATOM 169 O GLY A 13 15.440 3.069 -4.316 1.00 0.00 O ATOM 0 H GLY A 13 14.079 6.292 -3.684 1.00 0.00 H new ATOM 0 HA2 GLY A 13 13.189 4.732 -5.071 1.00 0.00 H new ATOM 0 HA3 GLY A 13 14.300 5.428 -6.233 1.00 0.00 H new ATOM 173 N TRP A 14 15.156 3.071 -6.539 1.00 0.00 N ATOM 174 CA TRP A 14 15.862 1.803 -6.731 1.00 0.00 C ATOM 175 C TRP A 14 17.266 1.865 -6.119 1.00 0.00 C ATOM 176 O TRP A 14 17.725 0.909 -5.493 1.00 0.00 O ATOM 177 CB TRP A 14 15.964 1.493 -8.215 1.00 0.00 C ATOM 178 CG TRP A 14 16.609 0.168 -8.396 1.00 0.00 C ATOM 179 CD1 TRP A 14 17.939 -0.060 -8.333 1.00 0.00 C ATOM 180 CD2 TRP A 14 15.984 -1.115 -8.663 1.00 0.00 C ATOM 181 NE1 TRP A 14 18.169 -1.407 -8.546 1.00 0.00 N ATOM 182 CE2 TRP A 14 16.991 -2.098 -8.755 1.00 0.00 C ATOM 183 CE3 TRP A 14 14.645 -1.519 -8.834 1.00 0.00 C ATOM 184 CZ2 TRP A 14 16.693 -3.431 -9.007 1.00 0.00 C ATOM 185 CZ3 TRP A 14 14.339 -2.871 -9.090 1.00 0.00 C ATOM 186 CH2 TRP A 14 15.367 -3.822 -9.175 1.00 0.00 C ATOM 0 H TRP A 14 14.804 3.495 -7.397 1.00 0.00 H new ATOM 0 HA TRP A 14 15.300 1.015 -6.230 1.00 0.00 H new ATOM 0 HB2 TRP A 14 14.972 1.492 -8.667 1.00 0.00 H new ATOM 0 HB3 TRP A 14 16.544 2.265 -8.721 1.00 0.00 H new ATOM 0 HD1 TRP A 14 18.697 0.686 -8.147 1.00 0.00 H new ATOM 0 HE1 TRP A 14 19.094 -1.837 -8.548 1.00 0.00 H new ATOM 0 HE3 TRP A 14 13.850 -0.790 -8.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 17.486 -4.161 -9.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 13.311 -3.175 -9.221 1.00 0.00 H new ATOM 0 HH2 TRP A 14 15.130 -4.857 -9.371 1.00 0.00 H new ATOM 197 N THR A 15 17.929 2.992 -6.298 1.00 0.00 N ATOM 198 CA THR A 15 19.278 3.183 -5.751 1.00 0.00 C ATOM 199 C THR A 15 19.269 3.033 -4.235 1.00 0.00 C ATOM 200 O THR A 15 20.185 2.443 -3.660 1.00 0.00 O ATOM 201 CB THR A 15 19.799 4.579 -6.127 1.00 0.00 C ATOM 202 OG1 THR A 15 19.674 4.767 -7.533 1.00 0.00 O ATOM 203 CG2 THR A 15 21.272 4.707 -5.720 1.00 0.00 C ATOM 0 H THR A 15 17.565 3.792 -6.815 1.00 0.00 H new ATOM 0 HA THR A 15 19.934 2.422 -6.174 1.00 0.00 H new ATOM 0 HB THR A 15 19.215 5.337 -5.605 1.00 0.00 H new ATOM 0 HG1 THR A 15 20.004 5.658 -7.775 1.00 0.00 H new ATOM 0 HG21 THR A 15 21.639 5.698 -5.988 1.00 0.00 H new ATOM 0 HG22 THR A 15 21.366 4.564 -4.643 1.00 0.00 H new ATOM 0 HG23 THR A 15 21.860 3.950 -6.239 1.00 0.00 H new ATOM 211 N GLY A 16 18.249 3.559 -3.596 1.00 0.00 N ATOM 212 CA GLY A 16 18.148 3.470 -2.152 1.00 0.00 C ATOM 213 C GLY A 16 17.924 2.025 -1.705 1.00 0.00 C ATOM 214 O GLY A 16 18.443 1.596 -0.675 1.00 0.00 O ATOM 0 H GLY A 16 17.479 4.052 -4.048 1.00 0.00 H new ATOM 0 HA2 GLY A 16 19.059 3.858 -1.696 1.00 0.00 H new ATOM 0 HA3 GLY A 16 17.325 4.094 -1.803 1.00 0.00 H new ATOM 218 N MET A 17 17.149 1.280 -2.485 1.00 0.00 N ATOM 219 CA MET A 17 16.862 -0.119 -2.150 1.00 0.00 C ATOM 220 C MET A 17 18.152 -0.900 -1.956 1.00 0.00 C ATOM 221 O MET A 17 18.322 -1.592 -0.951 1.00 0.00 O ATOM 222 CB MET A 17 16.031 -0.768 -3.261 1.00 0.00 C ATOM 223 CG MET A 17 15.607 -2.170 -2.827 1.00 0.00 C ATOM 224 SD MET A 17 14.483 -2.881 -4.069 1.00 0.00 S ATOM 225 CE MET A 17 15.691 -3.084 -5.415 1.00 0.00 C ATOM 0 H MET A 17 16.711 1.611 -3.344 1.00 0.00 H new ATOM 0 HA MET A 17 16.296 -0.137 -1.218 1.00 0.00 H new ATOM 0 HB2 MET A 17 15.152 -0.160 -3.474 1.00 0.00 H new ATOM 0 HB3 MET A 17 16.613 -0.821 -4.181 1.00 0.00 H new ATOM 0 HG2 MET A 17 16.484 -2.806 -2.710 1.00 0.00 H new ATOM 0 HG3 MET A 17 15.112 -2.127 -1.857 1.00 0.00 H new ATOM 0 HE1 MET A 17 15.324 -3.826 -6.124 1.00 0.00 H new ATOM 0 HE2 MET A 17 15.830 -2.131 -5.926 1.00 0.00 H new ATOM 0 HE3 MET A 17 16.644 -3.416 -5.002 1.00 0.00 H new ATOM 235 N ILE A 18 19.056 -0.788 -2.911 1.00 0.00 N ATOM 236 CA ILE A 18 20.325 -1.493 -2.825 1.00 0.00 C ATOM 237 C ILE A 18 21.114 -1.034 -1.607 1.00 0.00 C ATOM 238 O ILE A 18 21.596 -1.853 -0.824 1.00 0.00 O ATOM 239 CB ILE A 18 21.149 -1.249 -4.085 1.00 0.00 C ATOM 240 CG1 ILE A 18 20.357 -1.721 -5.312 1.00 0.00 C ATOM 241 CG2 ILE A 18 22.465 -2.031 -3.994 1.00 0.00 C ATOM 242 CD1 ILE A 18 21.043 -1.226 -6.583 1.00 0.00 C ATOM 0 H ILE A 18 18.939 -0.220 -3.750 1.00 0.00 H new ATOM 0 HA ILE A 18 20.116 -2.558 -2.729 1.00 0.00 H new ATOM 0 HB ILE A 18 21.365 -0.185 -4.179 1.00 0.00 H new ATOM 0 HG12 ILE A 18 20.294 -2.809 -5.321 1.00 0.00 H new ATOM 0 HG13 ILE A 18 19.336 -1.343 -5.266 1.00 0.00 H new ATOM 0 HG21 ILE A 18 23.055 -1.857 -4.894 1.00 0.00 H new ATOM 0 HG22 ILE A 18 23.027 -1.697 -3.122 1.00 0.00 H new ATOM 0 HG23 ILE A 18 22.250 -3.096 -3.901 1.00 0.00 H new ATOM 0 HD11 ILE A 18 20.480 -1.561 -7.454 1.00 0.00 H new ATOM 0 HD12 ILE A 18 21.083 -0.137 -6.574 1.00 0.00 H new ATOM 0 HD13 ILE A 18 22.056 -1.626 -6.629 1.00 0.00 H new ATOM 254 N ASP A 19 21.254 0.281 -1.456 1.00 0.00 N ATOM 255 CA ASP A 19 21.999 0.829 -0.334 1.00 0.00 C ATOM 256 C ASP A 19 21.404 0.361 0.991 1.00 0.00 C ATOM 257 O ASP A 19 22.127 -0.048 1.896 1.00 0.00 O ATOM 258 CB ASP A 19 21.976 2.358 -0.393 1.00 0.00 C ATOM 259 CG ASP A 19 22.714 2.939 0.810 1.00 0.00 C ATOM 260 OD1 ASP A 19 23.934 2.928 0.793 1.00 0.00 O ATOM 261 OD2 ASP A 19 22.049 3.387 1.728 1.00 0.00 O ATOM 0 H ASP A 19 20.864 0.978 -2.091 1.00 0.00 H new ATOM 0 HA ASP A 19 23.028 0.475 -0.399 1.00 0.00 H new ATOM 0 HB2 ASP A 19 22.442 2.701 -1.316 1.00 0.00 H new ATOM 0 HB3 ASP A 19 20.946 2.714 -0.405 1.00 0.00 H new ATOM 266 N GLY A 20 20.079 0.429 1.096 1.00 0.00 N ATOM 267 CA GLY A 20 19.395 0.017 2.315 1.00 0.00 C ATOM 268 C GLY A 20 19.627 -1.461 2.602 1.00 0.00 C ATOM 269 O GLY A 20 19.828 -1.856 3.749 1.00 0.00 O ATOM 0 H GLY A 20 19.462 0.764 0.356 1.00 0.00 H new ATOM 0 HA2 GLY A 20 19.751 0.614 3.155 1.00 0.00 H new ATOM 0 HA3 GLY A 20 18.326 0.208 2.218 1.00 0.00 H new ATOM 273 N TRP A 21 19.595 -2.275 1.553 1.00 0.00 N ATOM 274 CA TRP A 21 19.802 -3.708 1.707 1.00 0.00 C ATOM 275 C TRP A 21 21.192 -3.985 2.278 1.00 0.00 C ATOM 276 O TRP A 21 21.364 -4.856 3.135 1.00 0.00 O ATOM 277 CB TRP A 21 19.652 -4.410 0.351 1.00 0.00 C ATOM 278 CG TRP A 21 19.832 -5.885 0.530 1.00 0.00 C ATOM 279 CD1 TRP A 21 20.906 -6.592 0.109 1.00 0.00 C ATOM 280 CD2 TRP A 21 18.936 -6.839 1.164 1.00 0.00 C ATOM 281 NE1 TRP A 21 20.724 -7.922 0.449 1.00 0.00 N ATOM 282 CE2 TRP A 21 19.522 -8.122 1.101 1.00 0.00 C ATOM 283 CE3 TRP A 21 17.676 -6.715 1.788 1.00 0.00 C ATOM 284 CZ2 TRP A 21 18.891 -9.242 1.632 1.00 0.00 C ATOM 285 CZ3 TRP A 21 17.035 -7.850 2.326 1.00 0.00 C ATOM 286 CH2 TRP A 21 17.647 -9.111 2.244 1.00 0.00 C ATOM 0 H TRP A 21 19.429 -1.969 0.594 1.00 0.00 H new ATOM 0 HA TRP A 21 19.052 -4.095 2.397 1.00 0.00 H new ATOM 0 HB2 TRP A 21 18.669 -4.201 -0.072 1.00 0.00 H new ATOM 0 HB3 TRP A 21 20.390 -4.026 -0.353 1.00 0.00 H new ATOM 0 HD1 TRP A 21 21.764 -6.186 -0.407 1.00 0.00 H new ATOM 0 HE1 TRP A 21 21.394 -8.663 0.244 1.00 0.00 H new ATOM 0 HE3 TRP A 21 17.201 -5.747 1.854 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 19.365 -10.211 1.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 16.071 -7.749 2.802 1.00 0.00 H new ATOM 0 HH2 TRP A 21 17.153 -9.979 2.655 1.00 0.00 H new ATOM 297 N TYR A 22 22.178 -3.238 1.794 1.00 0.00 N ATOM 298 CA TYR A 22 23.562 -3.404 2.259 1.00 0.00 C ATOM 299 C TYR A 22 23.765 -2.713 3.605 1.00 0.00 C ATOM 300 O TYR A 22 24.478 -3.225 4.472 1.00 0.00 O ATOM 301 CB TYR A 22 24.544 -2.820 1.220 1.00 0.00 C ATOM 302 CG TYR A 22 24.940 -3.901 0.235 1.00 0.00 C ATOM 303 CD1 TYR A 22 24.124 -4.177 -0.867 1.00 0.00 C ATOM 304 CD2 TYR A 22 26.123 -4.627 0.430 1.00 0.00 C ATOM 305 CE1 TYR A 22 24.490 -5.180 -1.776 1.00 0.00 C ATOM 306 CE2 TYR A 22 26.489 -5.627 -0.478 1.00 0.00 C ATOM 307 CZ TYR A 22 25.673 -5.903 -1.580 1.00 0.00 C ATOM 308 OH TYR A 22 26.033 -6.890 -2.475 1.00 0.00 O ATOM 0 H TYR A 22 22.053 -2.515 1.085 1.00 0.00 H new ATOM 0 HA TYR A 22 23.757 -4.469 2.380 1.00 0.00 H new ATOM 0 HB2 TYR A 22 24.080 -1.986 0.694 1.00 0.00 H new ATOM 0 HB3 TYR A 22 25.429 -2.428 1.721 1.00 0.00 H new ATOM 0 HD1 TYR A 22 23.212 -3.618 -1.018 1.00 0.00 H new ATOM 0 HD2 TYR A 22 26.752 -4.415 1.281 1.00 0.00 H new ATOM 0 HE1 TYR A 22 23.860 -5.395 -2.627 1.00 0.00 H new ATOM 0 HE2 TYR A 22 27.401 -6.185 -0.328 1.00 0.00 H new ATOM 0 HH TYR A 22 26.881 -7.293 -2.194 1.00 0.00 H new ATOM 318 N GLY A 23 23.135 -1.544 3.773 1.00 0.00 N ATOM 319 CA GLY A 23 23.256 -0.781 5.027 1.00 0.00 C ATOM 320 C GLY A 23 23.291 -1.714 6.234 1.00 0.00 C ATOM 321 O GLY A 23 22.245 -2.107 6.760 1.00 0.00 O ATOM 0 H GLY A 23 22.542 -1.107 3.067 1.00 0.00 H new ATOM 0 HA2 GLY A 23 24.163 -0.177 5.003 1.00 0.00 H new ATOM 0 HA3 GLY A 23 22.417 -0.092 5.120 1.00 0.00 H new ATOM 325 N SER A 24 24.497 -2.066 6.669 1.00 0.00 N ATOM 326 CA SER A 24 24.657 -2.956 7.813 1.00 0.00 C ATOM 327 C SER A 24 24.313 -2.229 9.111 1.00 0.00 C ATOM 328 O SER A 24 23.887 -2.891 10.043 1.00 0.00 O ATOM 329 CB SER A 24 26.097 -3.473 7.874 1.00 0.00 C ATOM 330 OG SER A 24 26.135 -4.678 8.638 1.00 0.00 O ATOM 0 H SER A 24 25.372 -1.751 6.250 1.00 0.00 H new ATOM 0 HA SER A 24 23.976 -3.799 7.694 1.00 0.00 H new ATOM 0 HB2 SER A 24 26.473 -3.656 6.867 1.00 0.00 H new ATOM 0 HB3 SER A 24 26.746 -2.722 8.325 1.00 0.00 H new ATOM 0 HG SER A 24 27.056 -5.012 8.677 1.00 0.00 H new TER 336 SER A 24 ATOM 337 N GLY B 1 38.854 -3.582 6.654 1.00 0.00 N ATOM 338 CA GLY B 1 38.078 -4.855 6.578 1.00 0.00 C ATOM 339 C GLY B 1 36.876 -4.664 5.663 1.00 0.00 C ATOM 340 O GLY B 1 36.916 -3.865 4.732 1.00 0.00 O ATOM 0 H1 GLY B 1 39.859 -3.777 6.474 1.00 0.00 H new ATOM 0 H2 GLY B 1 38.497 -2.915 5.940 1.00 0.00 H new ATOM 0 H3 GLY B 1 38.747 -3.166 7.601 1.00 0.00 H new ATOM 0 HA2 GLY B 1 38.712 -5.657 6.201 1.00 0.00 H new ATOM 0 HA3 GLY B 1 37.747 -5.151 7.573 1.00 0.00 H new ATOM 346 N LEU B 2 35.807 -5.410 5.932 1.00 0.00 N ATOM 347 CA LEU B 2 34.595 -5.316 5.118 1.00 0.00 C ATOM 348 C LEU B 2 33.991 -3.919 5.217 1.00 0.00 C ATOM 349 O LEU B 2 33.620 -3.323 4.208 1.00 0.00 O ATOM 350 CB LEU B 2 33.566 -6.360 5.584 1.00 0.00 C ATOM 351 CG LEU B 2 32.349 -6.355 4.639 1.00 0.00 C ATOM 352 CD1 LEU B 2 32.768 -6.867 3.234 1.00 0.00 C ATOM 353 CD2 LEU B 2 31.258 -7.267 5.215 1.00 0.00 C ATOM 0 H LEU B 2 35.754 -6.080 6.699 1.00 0.00 H new ATOM 0 HA LEU B 2 34.861 -5.510 4.079 1.00 0.00 H new ATOM 0 HB2 LEU B 2 34.021 -7.350 5.600 1.00 0.00 H new ATOM 0 HB3 LEU B 2 33.247 -6.140 6.603 1.00 0.00 H new ATOM 0 HG LEU B 2 31.967 -5.338 4.547 1.00 0.00 H new ATOM 0 HD11 LEU B 2 31.903 -6.861 2.571 1.00 0.00 H new ATOM 0 HD12 LEU B 2 33.542 -6.217 2.826 1.00 0.00 H new ATOM 0 HD13 LEU B 2 33.154 -7.883 3.317 1.00 0.00 H new ATOM 0 HD21 LEU B 2 30.395 -7.267 4.550 1.00 0.00 H new ATOM 0 HD22 LEU B 2 31.644 -8.282 5.308 1.00 0.00 H new ATOM 0 HD23 LEU B 2 30.959 -6.901 6.197 1.00 0.00 H new ATOM 365 N PHE B 3 33.895 -3.404 6.435 1.00 0.00 N ATOM 366 CA PHE B 3 33.331 -2.078 6.645 1.00 0.00 C ATOM 367 C PHE B 3 34.154 -1.026 5.911 1.00 0.00 C ATOM 368 O PHE B 3 33.603 -0.106 5.303 1.00 0.00 O ATOM 369 CB PHE B 3 33.300 -1.748 8.137 1.00 0.00 C ATOM 370 CG PHE B 3 32.498 -2.803 8.872 1.00 0.00 C ATOM 371 CD1 PHE B 3 31.107 -2.852 8.724 1.00 0.00 C ATOM 372 CD2 PHE B 3 33.148 -3.731 9.704 1.00 0.00 C ATOM 373 CE1 PHE B 3 30.365 -3.826 9.401 1.00 0.00 C ATOM 374 CE2 PHE B 3 32.405 -4.703 10.380 1.00 0.00 C ATOM 375 CZ PHE B 3 31.014 -4.751 10.230 1.00 0.00 C ATOM 0 H PHE B 3 34.197 -3.879 7.286 1.00 0.00 H new ATOM 0 HA PHE B 3 32.314 -2.073 6.252 1.00 0.00 H new ATOM 0 HB2 PHE B 3 34.315 -1.707 8.532 1.00 0.00 H new ATOM 0 HB3 PHE B 3 32.857 -0.765 8.294 1.00 0.00 H new ATOM 0 HD1 PHE B 3 30.606 -2.138 8.087 1.00 0.00 H new ATOM 0 HD2 PHE B 3 34.221 -3.693 9.821 1.00 0.00 H new ATOM 0 HE1 PHE B 3 29.292 -3.865 9.285 1.00 0.00 H new ATOM 0 HE2 PHE B 3 32.904 -5.417 11.018 1.00 0.00 H new ATOM 0 HZ PHE B 3 30.440 -5.502 10.754 1.00 0.00 H new ATOM 385 N GLY B 4 35.470 -1.169 5.969 1.00 0.00 N ATOM 386 CA GLY B 4 36.358 -0.226 5.305 1.00 0.00 C ATOM 387 C GLY B 4 36.136 -0.244 3.796 1.00 0.00 C ATOM 388 O GLY B 4 36.110 0.805 3.150 1.00 0.00 O ATOM 0 H GLY B 4 35.944 -1.923 6.465 1.00 0.00 H new ATOM 0 HA2 GLY B 4 36.184 0.778 5.691 1.00 0.00 H new ATOM 0 HA3 GLY B 4 37.395 -0.477 5.528 1.00 0.00 H new ATOM 392 N ALA B 5 35.977 -1.443 3.242 1.00 0.00 N ATOM 393 CA ALA B 5 35.758 -1.592 1.808 1.00 0.00 C ATOM 394 C ALA B 5 34.463 -0.901 1.384 1.00 0.00 C ATOM 395 O ALA B 5 34.453 -0.098 0.455 1.00 0.00 O ATOM 396 CB ALA B 5 35.691 -3.085 1.443 1.00 0.00 C ATOM 0 H ALA B 5 35.996 -2.320 3.762 1.00 0.00 H new ATOM 0 HA ALA B 5 36.590 -1.125 1.282 1.00 0.00 H new ATOM 0 HB1 ALA B 5 35.527 -3.190 0.371 1.00 0.00 H new ATOM 0 HB2 ALA B 5 36.629 -3.569 1.716 1.00 0.00 H new ATOM 0 HB3 ALA B 5 34.869 -3.555 1.983 1.00 0.00 H new ATOM 402 N ILE B 6 33.376 -1.223 2.073 1.00 0.00 N ATOM 403 CA ILE B 6 32.078 -0.628 1.759 1.00 0.00 C ATOM 404 C ILE B 6 32.094 0.869 2.033 1.00 0.00 C ATOM 405 O ILE B 6 31.586 1.666 1.230 1.00 0.00 O ATOM 406 CB ILE B 6 30.979 -1.292 2.601 1.00 0.00 C ATOM 407 CG1 ILE B 6 30.999 -2.808 2.362 1.00 0.00 C ATOM 408 CG2 ILE B 6 29.625 -0.731 2.200 1.00 0.00 C ATOM 409 CD1 ILE B 6 30.099 -3.496 3.384 1.00 0.00 C ATOM 0 H ILE B 6 33.364 -1.887 2.847 1.00 0.00 H new ATOM 0 HA ILE B 6 31.873 -0.790 0.701 1.00 0.00 H new ATOM 0 HB ILE B 6 31.156 -1.089 3.657 1.00 0.00 H new ATOM 0 HG12 ILE B 6 30.657 -3.032 1.351 1.00 0.00 H new ATOM 0 HG13 ILE B 6 32.018 -3.187 2.445 1.00 0.00 H new ATOM 0 HG21 ILE B 6 28.845 -1.202 2.797 1.00 0.00 H new ATOM 0 HG22 ILE B 6 29.612 0.346 2.370 1.00 0.00 H new ATOM 0 HG23 ILE B 6 29.446 -0.933 1.144 1.00 0.00 H new ATOM 0 HD11 ILE B 6 30.113 -4.573 3.215 1.00 0.00 H new ATOM 0 HD12 ILE B 6 30.461 -3.282 4.390 1.00 0.00 H new ATOM 0 HD13 ILE B 6 29.079 -3.125 3.279 1.00 0.00 H new ATOM 421 N ALA B 7 32.677 1.253 3.165 1.00 0.00 N ATOM 422 CA ALA B 7 32.748 2.662 3.533 1.00 0.00 C ATOM 423 C ALA B 7 33.545 3.442 2.500 1.00 0.00 C ATOM 424 O ALA B 7 33.121 4.506 2.048 1.00 0.00 O ATOM 425 CB ALA B 7 33.402 2.811 4.905 1.00 0.00 C ATOM 0 H ALA B 7 33.103 0.615 3.837 1.00 0.00 H new ATOM 0 HA ALA B 7 31.734 3.061 3.571 1.00 0.00 H new ATOM 0 HB1 ALA B 7 33.451 3.867 5.172 1.00 0.00 H new ATOM 0 HB2 ALA B 7 32.812 2.275 5.649 1.00 0.00 H new ATOM 0 HB3 ALA B 7 34.410 2.397 4.874 1.00 0.00 H new ATOM 431 N ALA B 8 34.699 2.906 2.128 1.00 0.00 N ATOM 432 CA ALA B 8 35.553 3.555 1.143 1.00 0.00 C ATOM 433 C ALA B 8 34.850 3.625 -0.210 1.00 0.00 C ATOM 434 O ALA B 8 35.025 4.577 -0.959 1.00 0.00 O ATOM 435 CB ALA B 8 36.872 2.778 1.003 1.00 0.00 C ATOM 0 H ALA B 8 35.065 2.026 2.492 1.00 0.00 H new ATOM 0 HA ALA B 8 35.765 4.570 1.480 1.00 0.00 H new ATOM 0 HB1 ALA B 8 37.507 3.268 0.265 1.00 0.00 H new ATOM 0 HB2 ALA B 8 37.385 2.755 1.965 1.00 0.00 H new ATOM 0 HB3 ALA B 8 36.661 1.758 0.680 1.00 0.00 H new ATOM 441 N PHE B 9 34.061 2.611 -0.513 1.00 0.00 N ATOM 442 CA PHE B 9 33.348 2.577 -1.779 1.00 0.00 C ATOM 443 C PHE B 9 32.552 3.867 -1.969 1.00 0.00 C ATOM 444 O PHE B 9 32.627 4.506 -3.022 1.00 0.00 O ATOM 445 CB PHE B 9 32.400 1.362 -1.818 1.00 0.00 C ATOM 446 CG PHE B 9 32.041 1.035 -3.258 1.00 0.00 C ATOM 447 CD1 PHE B 9 33.016 0.527 -4.120 1.00 0.00 C ATOM 448 CD2 PHE B 9 30.732 1.239 -3.723 1.00 0.00 C ATOM 449 CE1 PHE B 9 32.689 0.221 -5.446 1.00 0.00 C ATOM 450 CE2 PHE B 9 30.406 0.934 -5.049 1.00 0.00 C ATOM 451 CZ PHE B 9 31.385 0.424 -5.911 1.00 0.00 C ATOM 0 H PHE B 9 33.898 1.807 0.093 1.00 0.00 H new ATOM 0 HA PHE B 9 34.072 2.488 -2.589 1.00 0.00 H new ATOM 0 HB2 PHE B 9 32.877 0.502 -1.348 1.00 0.00 H new ATOM 0 HB3 PHE B 9 31.496 1.576 -1.248 1.00 0.00 H new ATOM 0 HD1 PHE B 9 34.023 0.370 -3.763 1.00 0.00 H new ATOM 0 HD2 PHE B 9 29.977 1.631 -3.058 1.00 0.00 H new ATOM 0 HE1 PHE B 9 33.444 -0.172 -6.111 1.00 0.00 H new ATOM 0 HE2 PHE B 9 29.400 1.092 -5.408 1.00 0.00 H new ATOM 0 HZ PHE B 9 31.133 0.187 -6.934 1.00 0.00 H new ATOM 461 N ILE B 10 31.791 4.247 -0.944 1.00 0.00 N ATOM 462 CA ILE B 10 30.988 5.469 -1.012 1.00 0.00 C ATOM 463 C ILE B 10 31.843 6.705 -0.699 1.00 0.00 C ATOM 464 O ILE B 10 31.944 7.622 -1.512 1.00 0.00 O ATOM 465 CB ILE B 10 29.831 5.389 -0.018 1.00 0.00 C ATOM 466 CG1 ILE B 10 29.000 4.136 -0.306 1.00 0.00 C ATOM 467 CG2 ILE B 10 28.946 6.636 -0.156 1.00 0.00 C ATOM 468 CD1 ILE B 10 27.928 3.972 0.775 1.00 0.00 C ATOM 0 H ILE B 10 31.713 3.734 -0.066 1.00 0.00 H new ATOM 0 HA ILE B 10 30.597 5.561 -2.025 1.00 0.00 H new ATOM 0 HB ILE B 10 30.226 5.339 0.997 1.00 0.00 H new ATOM 0 HG12 ILE B 10 28.532 4.215 -1.287 1.00 0.00 H new ATOM 0 HG13 ILE B 10 29.644 3.257 -0.330 1.00 0.00 H new ATOM 0 HG21 ILE B 10 28.121 6.577 0.554 1.00 0.00 H new ATOM 0 HG22 ILE B 10 29.539 7.527 0.050 1.00 0.00 H new ATOM 0 HG23 ILE B 10 28.549 6.690 -1.170 1.00 0.00 H new ATOM 0 HD11 ILE B 10 27.337 3.080 0.569 1.00 0.00 H new ATOM 0 HD12 ILE B 10 28.406 3.874 1.750 1.00 0.00 H new ATOM 0 HD13 ILE B 10 27.277 4.846 0.777 1.00 0.00 H new ATOM 480 N GLU B 11 32.447 6.722 0.485 1.00 0.00 N ATOM 481 CA GLU B 11 33.283 7.858 0.893 1.00 0.00 C ATOM 482 C GLU B 11 34.567 7.911 0.067 1.00 0.00 C ATOM 483 O GLU B 11 34.913 8.949 -0.496 1.00 0.00 O ATOM 484 CB GLU B 11 33.638 7.738 2.399 1.00 0.00 C ATOM 485 CG GLU B 11 32.475 8.263 3.260 1.00 0.00 C ATOM 486 CD GLU B 11 31.274 7.350 3.119 1.00 0.00 C ATOM 487 OE1 GLU B 11 31.462 6.222 2.713 1.00 0.00 O ATOM 488 OE2 GLU B 11 30.177 7.792 3.422 1.00 0.00 O ATOM 0 H GLU B 11 32.378 5.974 1.175 1.00 0.00 H new ATOM 0 HA GLU B 11 32.721 8.776 0.722 1.00 0.00 H new ATOM 0 HB2 GLU B 11 33.846 6.698 2.650 1.00 0.00 H new ATOM 0 HB3 GLU B 11 34.544 8.305 2.613 1.00 0.00 H new ATOM 0 HG2 GLU B 11 32.781 8.317 4.305 1.00 0.00 H new ATOM 0 HG3 GLU B 11 32.211 9.275 2.952 1.00 0.00 H new ATOM 495 N GLY B 12 35.262 6.791 0.003 1.00 0.00 N ATOM 496 CA GLY B 12 36.505 6.719 -0.752 1.00 0.00 C ATOM 497 C GLY B 12 36.235 6.742 -2.250 1.00 0.00 C ATOM 498 O GLY B 12 37.108 6.416 -3.053 1.00 0.00 O ATOM 0 H GLY B 12 34.991 5.921 0.461 1.00 0.00 H new ATOM 0 HA2 GLY B 12 37.148 7.557 -0.482 1.00 0.00 H new ATOM 0 HA3 GLY B 12 37.042 5.807 -0.489 1.00 0.00 H new ATOM 502 N GLY B 13 35.020 7.133 -2.621 1.00 0.00 N ATOM 503 CA GLY B 13 34.646 7.197 -4.029 1.00 0.00 C ATOM 504 C GLY B 13 34.783 5.835 -4.689 1.00 0.00 C ATOM 505 O GLY B 13 35.883 5.288 -4.782 1.00 0.00 O ATOM 0 H GLY B 13 34.283 7.408 -1.972 1.00 0.00 H new ATOM 0 HA2 GLY B 13 33.618 7.548 -4.121 1.00 0.00 H new ATOM 0 HA3 GLY B 13 35.277 7.921 -4.545 1.00 0.00 H new ATOM 509 N TRP B 14 33.666 5.288 -5.148 1.00 0.00 N ATOM 510 CA TRP B 14 33.681 3.983 -5.800 1.00 0.00 C ATOM 511 C TRP B 14 34.593 4.010 -7.026 1.00 0.00 C ATOM 512 O TRP B 14 35.201 2.999 -7.386 1.00 0.00 O ATOM 513 CB TRP B 14 32.264 3.593 -6.220 1.00 0.00 C ATOM 514 CG TRP B 14 31.648 4.711 -6.998 1.00 0.00 C ATOM 515 CD1 TRP B 14 31.073 5.808 -6.455 1.00 0.00 C ATOM 516 CD2 TRP B 14 31.536 4.860 -8.442 1.00 0.00 C ATOM 517 NE1 TRP B 14 30.613 6.622 -7.478 1.00 0.00 N ATOM 518 CE2 TRP B 14 30.876 6.078 -8.722 1.00 0.00 C ATOM 519 CE3 TRP B 14 31.941 4.060 -9.532 1.00 0.00 C ATOM 520 CZ2 TRP B 14 30.625 6.493 -10.024 1.00 0.00 C ATOM 521 CZ3 TRP B 14 31.687 4.480 -10.855 1.00 0.00 C ATOM 522 CH2 TRP B 14 31.028 5.696 -11.095 1.00 0.00 C ATOM 0 H TRP B 14 32.745 5.722 -5.083 1.00 0.00 H new ATOM 0 HA TRP B 14 34.063 3.246 -5.093 1.00 0.00 H new ATOM 0 HB2 TRP B 14 32.289 2.686 -6.824 1.00 0.00 H new ATOM 0 HB3 TRP B 14 31.660 3.373 -5.340 1.00 0.00 H new ATOM 0 HD1 TRP B 14 30.987 6.015 -5.399 1.00 0.00 H new ATOM 0 HE1 TRP B 14 30.139 7.513 -7.331 1.00 0.00 H new ATOM 0 HE3 TRP B 14 32.447 3.123 -9.353 1.00 0.00 H new ATOM 0 HZ2 TRP B 14 30.119 7.430 -10.206 1.00 0.00 H new ATOM 0 HZ3 TRP B 14 32.000 3.864 -11.685 1.00 0.00 H new ATOM 0 HH2 TRP B 14 30.833 6.014 -12.109 1.00 0.00 H new ATOM 533 N THR B 15 34.680 5.175 -7.663 1.00 0.00 N ATOM 534 CA THR B 15 35.518 5.330 -8.849 1.00 0.00 C ATOM 535 C THR B 15 36.985 5.506 -8.459 1.00 0.00 C ATOM 536 O THR B 15 37.885 5.201 -9.242 1.00 0.00 O ATOM 537 CB THR B 15 35.052 6.547 -9.663 1.00 0.00 C ATOM 538 OG1 THR B 15 33.643 6.473 -9.852 1.00 0.00 O ATOM 539 CG2 THR B 15 35.751 6.551 -11.027 1.00 0.00 C ATOM 0 H THR B 15 34.184 6.020 -7.380 1.00 0.00 H new ATOM 0 HA THR B 15 35.425 4.428 -9.454 1.00 0.00 H new ATOM 0 HB THR B 15 35.303 7.462 -9.127 1.00 0.00 H new ATOM 0 HG1 THR B 15 33.375 5.536 -9.951 1.00 0.00 H new ATOM 0 HG21 THR B 15 35.419 7.415 -11.603 1.00 0.00 H new ATOM 0 HG22 THR B 15 36.830 6.604 -10.883 1.00 0.00 H new ATOM 0 HG23 THR B 15 35.501 5.637 -11.567 1.00 0.00 H new ATOM 547 N GLY B 16 37.222 6.007 -7.245 1.00 0.00 N ATOM 548 CA GLY B 16 38.589 6.224 -6.772 1.00 0.00 C ATOM 549 C GLY B 16 39.327 4.904 -6.585 1.00 0.00 C ATOM 550 O GLY B 16 40.493 4.780 -6.956 1.00 0.00 O ATOM 0 H GLY B 16 36.494 6.267 -6.579 1.00 0.00 H new ATOM 0 HA2 GLY B 16 39.128 6.847 -7.486 1.00 0.00 H new ATOM 0 HA3 GLY B 16 38.567 6.768 -5.828 1.00 0.00 H new ATOM 554 N MET B 17 38.645 3.918 -6.009 1.00 0.00 N ATOM 555 CA MET B 17 39.257 2.615 -5.784 1.00 0.00 C ATOM 556 C MET B 17 39.681 1.990 -7.109 1.00 0.00 C ATOM 557 O MET B 17 40.741 1.369 -7.206 1.00 0.00 O ATOM 558 CB MET B 17 38.266 1.689 -5.065 1.00 0.00 C ATOM 559 CG MET B 17 38.899 0.289 -4.875 1.00 0.00 C ATOM 560 SD MET B 17 38.249 -0.471 -3.358 1.00 0.00 S ATOM 561 CE MET B 17 36.799 -1.253 -4.096 1.00 0.00 C ATOM 0 H MET B 17 37.678 3.996 -5.693 1.00 0.00 H new ATOM 0 HA MET B 17 40.141 2.748 -5.161 1.00 0.00 H new ATOM 0 HB2 MET B 17 37.997 2.111 -4.097 1.00 0.00 H new ATOM 0 HB3 MET B 17 37.346 1.607 -5.644 1.00 0.00 H new ATOM 0 HG2 MET B 17 38.676 -0.342 -5.735 1.00 0.00 H new ATOM 0 HG3 MET B 17 39.984 0.374 -4.815 1.00 0.00 H new ATOM 0 HE1 MET B 17 36.242 -1.787 -3.326 1.00 0.00 H new ATOM 0 HE2 MET B 17 36.161 -0.490 -4.542 1.00 0.00 H new ATOM 0 HE3 MET B 17 37.117 -1.955 -4.866 1.00 0.00 H new ATOM 571 N ILE B 18 38.842 2.161 -8.130 1.00 0.00 N ATOM 572 CA ILE B 18 39.135 1.616 -9.452 1.00 0.00 C ATOM 573 C ILE B 18 40.374 2.278 -10.043 1.00 0.00 C ATOM 574 O ILE B 18 41.233 1.605 -10.619 1.00 0.00 O ATOM 575 CB ILE B 18 37.940 1.832 -10.384 1.00 0.00 C ATOM 576 CG1 ILE B 18 36.702 1.150 -9.784 1.00 0.00 C ATOM 577 CG2 ILE B 18 38.246 1.227 -11.758 1.00 0.00 C ATOM 578 CD1 ILE B 18 35.471 1.495 -10.616 1.00 0.00 C ATOM 0 H ILE B 18 37.960 2.669 -8.067 1.00 0.00 H new ATOM 0 HA ILE B 18 39.325 0.548 -9.350 1.00 0.00 H new ATOM 0 HB ILE B 18 37.750 2.900 -10.496 1.00 0.00 H new ATOM 0 HG12 ILE B 18 36.846 0.070 -9.760 1.00 0.00 H new ATOM 0 HG13 ILE B 18 36.559 1.475 -8.754 1.00 0.00 H new ATOM 0 HG21 ILE B 18 37.395 1.381 -12.421 1.00 0.00 H new ATOM 0 HG22 ILE B 18 39.127 1.710 -12.180 1.00 0.00 H new ATOM 0 HG23 ILE B 18 38.434 0.159 -11.651 1.00 0.00 H new ATOM 0 HD11 ILE B 18 34.594 1.009 -10.187 1.00 0.00 H new ATOM 0 HD12 ILE B 18 35.323 2.575 -10.617 1.00 0.00 H new ATOM 0 HD13 ILE B 18 35.614 1.148 -11.639 1.00 0.00 H new ATOM 590 N ASP B 19 40.466 3.595 -9.899 1.00 0.00 N ATOM 591 CA ASP B 19 41.611 4.325 -10.427 1.00 0.00 C ATOM 592 C ASP B 19 42.894 3.872 -9.733 1.00 0.00 C ATOM 593 O ASP B 19 43.943 3.756 -10.362 1.00 0.00 O ATOM 594 CB ASP B 19 41.414 5.829 -10.226 1.00 0.00 C ATOM 595 CG ASP B 19 42.495 6.601 -10.968 1.00 0.00 C ATOM 596 OD1 ASP B 19 43.458 5.980 -11.384 1.00 0.00 O ATOM 597 OD2 ASP B 19 42.343 7.803 -11.112 1.00 0.00 O ATOM 0 H ASP B 19 39.771 4.173 -9.427 1.00 0.00 H new ATOM 0 HA ASP B 19 41.695 4.117 -11.494 1.00 0.00 H new ATOM 0 HB2 ASP B 19 40.430 6.126 -10.588 1.00 0.00 H new ATOM 0 HB3 ASP B 19 41.449 6.070 -9.163 1.00 0.00 H new ATOM 602 N GLY B 20 42.796 3.613 -8.433 1.00 0.00 N ATOM 603 CA GLY B 20 43.950 3.167 -7.661 1.00 0.00 C ATOM 604 C GLY B 20 44.462 1.827 -8.177 1.00 0.00 C ATOM 605 O GLY B 20 45.653 1.668 -8.448 1.00 0.00 O ATOM 0 H GLY B 20 41.934 3.704 -7.895 1.00 0.00 H new ATOM 0 HA2 GLY B 20 44.743 3.912 -7.721 1.00 0.00 H new ATOM 0 HA3 GLY B 20 43.677 3.077 -6.610 1.00 0.00 H new ATOM 609 N TRP B 21 43.554 0.860 -8.301 1.00 0.00 N ATOM 610 CA TRP B 21 43.925 -0.470 -8.778 1.00 0.00 C ATOM 611 C TRP B 21 44.661 -0.377 -10.116 1.00 0.00 C ATOM 612 O TRP B 21 45.684 -1.030 -10.320 1.00 0.00 O ATOM 613 CB TRP B 21 42.663 -1.344 -8.940 1.00 0.00 C ATOM 614 CG TRP B 21 43.040 -2.795 -8.882 1.00 0.00 C ATOM 615 CD1 TRP B 21 43.008 -3.649 -9.931 1.00 0.00 C ATOM 616 CD2 TRP B 21 43.503 -3.566 -7.738 1.00 0.00 C ATOM 617 NE1 TRP B 21 43.425 -4.899 -9.498 1.00 0.00 N ATOM 618 CE2 TRP B 21 43.740 -4.895 -8.152 1.00 0.00 C ATOM 619 CE3 TRP B 21 43.738 -3.240 -6.387 1.00 0.00 C ATOM 620 CZ2 TRP B 21 44.192 -5.867 -7.270 1.00 0.00 C ATOM 621 CZ3 TRP B 21 44.196 -4.225 -5.489 1.00 0.00 C ATOM 622 CH2 TRP B 21 44.422 -5.537 -5.936 1.00 0.00 C ATOM 0 H TRP B 21 42.565 0.971 -8.080 1.00 0.00 H new ATOM 0 HA TRP B 21 44.589 -0.926 -8.044 1.00 0.00 H new ATOM 0 HB2 TRP B 21 41.946 -1.113 -8.152 1.00 0.00 H new ATOM 0 HB3 TRP B 21 42.176 -1.123 -9.890 1.00 0.00 H new ATOM 0 HD1 TRP B 21 42.708 -3.399 -10.938 1.00 0.00 H new ATOM 0 HE1 TRP B 21 43.491 -5.720 -10.099 1.00 0.00 H new ATOM 0 HE3 TRP B 21 43.567 -2.232 -6.039 1.00 0.00 H new ATOM 0 HZ2 TRP B 21 44.365 -6.875 -7.617 1.00 0.00 H new ATOM 0 HZ3 TRP B 21 44.374 -3.970 -4.455 1.00 0.00 H new ATOM 0 HH2 TRP B 21 44.774 -6.290 -5.246 1.00 0.00 H new ATOM 633 N TYR B 22 44.135 0.446 -11.017 1.00 0.00 N ATOM 634 CA TYR B 22 44.753 0.624 -12.329 1.00 0.00 C ATOM 635 C TYR B 22 46.089 1.360 -12.197 1.00 0.00 C ATOM 636 O TYR B 22 47.075 0.998 -12.840 1.00 0.00 O ATOM 637 CB TYR B 22 43.803 1.422 -13.253 1.00 0.00 C ATOM 638 CG TYR B 22 42.871 0.464 -13.979 1.00 0.00 C ATOM 639 CD1 TYR B 22 43.385 -0.413 -14.940 1.00 0.00 C ATOM 640 CD2 TYR B 22 41.503 0.454 -13.684 1.00 0.00 C ATOM 641 CE1 TYR B 22 42.532 -1.298 -15.609 1.00 0.00 C ATOM 642 CE2 TYR B 22 40.649 -0.431 -14.353 1.00 0.00 C ATOM 643 CZ TYR B 22 41.164 -1.307 -15.314 1.00 0.00 C ATOM 644 OH TYR B 22 40.323 -2.181 -15.971 1.00 0.00 O ATOM 0 H TYR B 22 43.290 0.997 -10.867 1.00 0.00 H new ATOM 0 HA TYR B 22 44.938 -0.358 -12.763 1.00 0.00 H new ATOM 0 HB2 TYR B 22 43.223 2.135 -12.666 1.00 0.00 H new ATOM 0 HB3 TYR B 22 44.381 1.999 -13.975 1.00 0.00 H new ATOM 0 HD1 TYR B 22 44.441 -0.407 -15.166 1.00 0.00 H new ATOM 0 HD2 TYR B 22 41.106 1.129 -12.940 1.00 0.00 H new ATOM 0 HE1 TYR B 22 42.929 -1.973 -16.352 1.00 0.00 H new ATOM 0 HE2 TYR B 22 39.593 -0.437 -14.127 1.00 0.00 H new ATOM 0 HH TYR B 22 39.406 -2.058 -15.647 1.00 0.00 H new ATOM 654 N GLY B 23 46.110 2.390 -11.362 1.00 0.00 N ATOM 655 CA GLY B 23 47.326 3.165 -11.153 1.00 0.00 C ATOM 656 C GLY B 23 48.498 2.254 -10.821 1.00 0.00 C ATOM 657 O GLY B 23 48.697 1.879 -9.666 1.00 0.00 O ATOM 0 H GLY B 23 45.305 2.707 -10.822 1.00 0.00 H new ATOM 0 HA2 GLY B 23 47.552 3.744 -12.049 1.00 0.00 H new ATOM 0 HA3 GLY B 23 47.173 3.878 -10.343 1.00 0.00 H new ATOM 661 N SER B 24 49.275 1.898 -11.842 1.00 0.00 N ATOM 662 CA SER B 24 50.434 1.023 -11.647 1.00 0.00 C ATOM 663 C SER B 24 51.644 1.833 -11.194 1.00 0.00 C ATOM 664 O SER B 24 51.470 2.705 -10.359 1.00 0.00 O ATOM 665 CB SER B 24 50.763 0.300 -12.948 1.00 0.00 C ATOM 666 OG SER B 24 51.845 -0.602 -12.726 1.00 0.00 O ATOM 0 H SER B 24 49.127 2.198 -12.806 1.00 0.00 H new ATOM 0 HA SER B 24 50.190 0.292 -10.876 1.00 0.00 H new ATOM 0 HB2 SER B 24 49.889 -0.244 -13.306 1.00 0.00 H new ATOM 0 HB3 SER B 24 51.029 1.021 -13.721 1.00 0.00 H new ATOM 0 HG SER B 24 52.058 -1.070 -13.561 1.00 0.00 H new TER 672 SER B 24 ATOM 673 N GLY C 1 4.449 -4.146 6.002 1.00 0.00 N ATOM 674 CA GLY C 1 3.235 -4.580 6.748 1.00 0.00 C ATOM 675 C GLY C 1 2.034 -4.565 5.817 1.00 0.00 C ATOM 676 O GLY C 1 1.986 -3.792 4.859 1.00 0.00 O ATOM 0 H1 GLY C 1 4.986 -4.982 5.696 1.00 0.00 H new ATOM 0 H2 GLY C 1 4.165 -3.592 5.169 1.00 0.00 H new ATOM 0 H3 GLY C 1 5.045 -3.560 6.620 1.00 0.00 H new ATOM 0 HA2 GLY C 1 3.382 -5.582 7.152 1.00 0.00 H new ATOM 0 HA3 GLY C 1 3.060 -3.917 7.595 1.00 0.00 H new ATOM 682 N LEU C 2 1.061 -5.419 6.103 1.00 0.00 N ATOM 683 CA LEU C 2 -0.145 -5.496 5.281 1.00 0.00 C ATOM 684 C LEU C 2 -0.881 -4.160 5.287 1.00 0.00 C ATOM 685 O LEU C 2 -1.194 -3.609 4.232 1.00 0.00 O ATOM 686 CB LEU C 2 -1.076 -6.600 5.823 1.00 0.00 C ATOM 687 CG LEU C 2 -2.434 -6.562 5.075 1.00 0.00 C ATOM 688 CD1 LEU C 2 -2.201 -6.696 3.559 1.00 0.00 C ATOM 689 CD2 LEU C 2 -3.310 -7.721 5.556 1.00 0.00 C ATOM 0 H LEU C 2 1.080 -6.065 6.892 1.00 0.00 H new ATOM 0 HA LEU C 2 0.146 -5.733 4.258 1.00 0.00 H new ATOM 0 HB2 LEU C 2 -0.608 -7.576 5.696 1.00 0.00 H new ATOM 0 HB3 LEU C 2 -1.236 -6.460 6.892 1.00 0.00 H new ATOM 0 HG LEU C 2 -2.930 -5.613 5.280 1.00 0.00 H new ATOM 0 HD11 LEU C 2 -3.159 -6.669 3.040 1.00 0.00 H new ATOM 0 HD12 LEU C 2 -1.577 -5.872 3.213 1.00 0.00 H new ATOM 0 HD13 LEU C 2 -1.702 -7.642 3.350 1.00 0.00 H new ATOM 0 HD21 LEU C 2 -4.265 -7.697 5.032 1.00 0.00 H new ATOM 0 HD22 LEU C 2 -2.807 -8.666 5.351 1.00 0.00 H new ATOM 0 HD23 LEU C 2 -3.482 -7.627 6.628 1.00 0.00 H new ATOM 701 N PHE C 3 -1.163 -3.650 6.482 1.00 0.00 N ATOM 702 CA PHE C 3 -1.868 -2.386 6.611 1.00 0.00 C ATOM 703 C PHE C 3 -1.043 -1.252 6.016 1.00 0.00 C ATOM 704 O PHE C 3 -1.591 -0.296 5.470 1.00 0.00 O ATOM 705 CB PHE C 3 -2.156 -2.092 8.084 1.00 0.00 C ATOM 706 CG PHE C 3 -2.945 -3.241 8.680 1.00 0.00 C ATOM 707 CD1 PHE C 3 -4.291 -3.421 8.333 1.00 0.00 C ATOM 708 CD2 PHE C 3 -2.328 -4.127 9.574 1.00 0.00 C ATOM 709 CE1 PHE C 3 -5.019 -4.486 8.881 1.00 0.00 C ATOM 710 CE2 PHE C 3 -3.056 -5.190 10.121 1.00 0.00 C ATOM 711 CZ PHE C 3 -4.401 -5.369 9.774 1.00 0.00 C ATOM 0 H PHE C 3 -0.915 -4.091 7.367 1.00 0.00 H new ATOM 0 HA PHE C 3 -2.810 -2.461 6.068 1.00 0.00 H new ATOM 0 HB2 PHE C 3 -1.222 -1.956 8.629 1.00 0.00 H new ATOM 0 HB3 PHE C 3 -2.718 -1.163 8.178 1.00 0.00 H new ATOM 0 HD1 PHE C 3 -4.767 -2.739 7.644 1.00 0.00 H new ATOM 0 HD2 PHE C 3 -1.291 -3.989 9.841 1.00 0.00 H new ATOM 0 HE1 PHE C 3 -6.056 -4.625 8.614 1.00 0.00 H new ATOM 0 HE2 PHE C 3 -2.581 -5.872 10.810 1.00 0.00 H new ATOM 0 HZ PHE C 3 -4.962 -6.190 10.196 1.00 0.00 H new ATOM 721 N GLY C 4 0.281 -1.362 6.128 1.00 0.00 N ATOM 722 CA GLY C 4 1.168 -0.338 5.600 1.00 0.00 C ATOM 723 C GLY C 4 1.084 -0.275 4.081 1.00 0.00 C ATOM 724 O GLY C 4 1.165 0.800 3.490 1.00 0.00 O ATOM 0 H GLY C 4 0.755 -2.145 6.577 1.00 0.00 H new ATOM 0 HA2 GLY C 4 0.903 0.631 6.023 1.00 0.00 H new ATOM 0 HA3 GLY C 4 2.194 -0.549 5.903 1.00 0.00 H new ATOM 728 N ALA C 5 0.925 -1.437 3.452 1.00 0.00 N ATOM 729 CA ALA C 5 0.835 -1.500 1.997 1.00 0.00 C ATOM 730 C ALA C 5 -0.441 -0.830 1.502 1.00 0.00 C ATOM 731 O ALA C 5 -0.410 -0.043 0.558 1.00 0.00 O ATOM 732 CB ALA C 5 0.870 -2.962 1.532 1.00 0.00 C ATOM 0 H ALA C 5 0.856 -2.339 3.922 1.00 0.00 H new ATOM 0 HA ALA C 5 1.689 -0.967 1.578 1.00 0.00 H new ATOM 0 HB1 ALA C 5 0.802 -3.000 0.445 1.00 0.00 H new ATOM 0 HB2 ALA C 5 1.803 -3.424 1.854 1.00 0.00 H new ATOM 0 HB3 ALA C 5 0.029 -3.502 1.967 1.00 0.00 H new ATOM 738 N ILE C 6 -1.552 -1.134 2.142 1.00 0.00 N ATOM 739 CA ILE C 6 -2.816 -0.542 1.754 1.00 0.00 C ATOM 740 C ILE C 6 -2.762 0.967 1.954 1.00 0.00 C ATOM 741 O ILE C 6 -3.278 1.732 1.141 1.00 0.00 O ATOM 742 CB ILE C 6 -3.958 -1.145 2.581 1.00 0.00 C ATOM 743 CG1 ILE C 6 -3.930 -2.679 2.436 1.00 0.00 C ATOM 744 CG2 ILE C 6 -5.303 -0.610 2.070 1.00 0.00 C ATOM 745 CD1 ILE C 6 -5.042 -3.312 3.302 1.00 0.00 C ATOM 0 H ILE C 6 -1.606 -1.783 2.927 1.00 0.00 H new ATOM 0 HA ILE C 6 -2.999 -0.754 0.701 1.00 0.00 H new ATOM 0 HB ILE C 6 -3.835 -0.870 3.629 1.00 0.00 H new ATOM 0 HG12 ILE C 6 -4.069 -2.956 1.391 1.00 0.00 H new ATOM 0 HG13 ILE C 6 -2.957 -3.064 2.741 1.00 0.00 H new ATOM 0 HG21 ILE C 6 -6.113 -1.040 2.659 1.00 0.00 H new ATOM 0 HG22 ILE C 6 -5.322 0.476 2.164 1.00 0.00 H new ATOM 0 HG23 ILE C 6 -5.430 -0.885 1.023 1.00 0.00 H new ATOM 0 HD11 ILE C 6 -5.015 -4.396 3.193 1.00 0.00 H new ATOM 0 HD12 ILE C 6 -4.884 -3.048 4.348 1.00 0.00 H new ATOM 0 HD13 ILE C 6 -6.013 -2.939 2.977 1.00 0.00 H new ATOM 757 N ALA C 7 -2.133 1.386 3.043 1.00 0.00 N ATOM 758 CA ALA C 7 -2.014 2.807 3.347 1.00 0.00 C ATOM 759 C ALA C 7 -1.182 3.518 2.271 1.00 0.00 C ATOM 760 O ALA C 7 -1.526 4.617 1.837 1.00 0.00 O ATOM 761 CB ALA C 7 -1.359 3.000 4.741 1.00 0.00 C ATOM 0 H ALA C 7 -1.699 0.767 3.728 1.00 0.00 H new ATOM 0 HA ALA C 7 -3.012 3.245 3.360 1.00 0.00 H new ATOM 0 HB1 ALA C 7 -1.274 4.065 4.959 1.00 0.00 H new ATOM 0 HB2 ALA C 7 -1.975 2.522 5.502 1.00 0.00 H new ATOM 0 HB3 ALA C 7 -0.366 2.549 4.742 1.00 0.00 H new ATOM 767 N ALA C 8 -0.089 2.887 1.849 1.00 0.00 N ATOM 768 CA ALA C 8 0.769 3.476 0.835 1.00 0.00 C ATOM 769 C ALA C 8 0.009 3.640 -0.482 1.00 0.00 C ATOM 770 O ALA C 8 0.225 4.602 -1.221 1.00 0.00 O ATOM 771 CB ALA C 8 1.996 2.593 0.611 1.00 0.00 C ATOM 0 H ALA C 8 0.218 1.977 2.192 1.00 0.00 H new ATOM 0 HA ALA C 8 1.088 4.459 1.183 1.00 0.00 H new ATOM 0 HB1 ALA C 8 2.633 3.042 -0.151 1.00 0.00 H new ATOM 0 HB2 ALA C 8 2.554 2.502 1.543 1.00 0.00 H new ATOM 0 HB3 ALA C 8 1.677 1.604 0.280 1.00 0.00 H new ATOM 777 N PHE C 9 -0.883 2.691 -0.763 1.00 0.00 N ATOM 778 CA PHE C 9 -1.680 2.729 -1.993 1.00 0.00 C ATOM 779 C PHE C 9 -2.599 3.952 -2.011 1.00 0.00 C ATOM 780 O PHE C 9 -2.720 4.633 -3.027 1.00 0.00 O ATOM 781 CB PHE C 9 -2.524 1.455 -2.098 1.00 0.00 C ATOM 782 CG PHE C 9 -3.340 1.490 -3.376 1.00 0.00 C ATOM 783 CD1 PHE C 9 -2.700 1.381 -4.616 1.00 0.00 C ATOM 784 CD2 PHE C 9 -4.736 1.632 -3.318 1.00 0.00 C ATOM 785 CE1 PHE C 9 -3.455 1.411 -5.802 1.00 0.00 C ATOM 786 CE2 PHE C 9 -5.488 1.662 -4.501 1.00 0.00 C ATOM 787 CZ PHE C 9 -4.848 1.550 -5.742 1.00 0.00 C ATOM 0 H PHE C 9 -1.073 1.890 -0.161 1.00 0.00 H new ATOM 0 HA PHE C 9 -1.000 2.794 -2.842 1.00 0.00 H new ATOM 0 HB2 PHE C 9 -1.878 0.577 -2.091 1.00 0.00 H new ATOM 0 HB3 PHE C 9 -3.184 1.372 -1.235 1.00 0.00 H new ATOM 0 HD1 PHE C 9 -1.626 1.274 -4.662 1.00 0.00 H new ATOM 0 HD2 PHE C 9 -5.231 1.718 -2.362 1.00 0.00 H new ATOM 0 HE1 PHE C 9 -2.961 1.327 -6.759 1.00 0.00 H new ATOM 0 HE2 PHE C 9 -6.561 1.772 -4.455 1.00 0.00 H new ATOM 0 HZ PHE C 9 -5.428 1.571 -6.653 1.00 0.00 H new ATOM 797 N ILE C 10 -3.245 4.223 -0.873 1.00 0.00 N ATOM 798 CA ILE C 10 -4.153 5.370 -0.768 1.00 0.00 C ATOM 799 C ILE C 10 -3.364 6.678 -0.698 1.00 0.00 C ATOM 800 O ILE C 10 -3.732 7.669 -1.326 1.00 0.00 O ATOM 801 CB ILE C 10 -5.038 5.229 0.481 1.00 0.00 C ATOM 802 CG1 ILE C 10 -5.780 3.888 0.425 1.00 0.00 C ATOM 803 CG2 ILE C 10 -6.062 6.376 0.528 1.00 0.00 C ATOM 804 CD1 ILE C 10 -6.603 3.702 1.702 1.00 0.00 C ATOM 0 H ILE C 10 -3.158 3.671 -0.020 1.00 0.00 H new ATOM 0 HA ILE C 10 -4.785 5.391 -1.656 1.00 0.00 H new ATOM 0 HB ILE C 10 -4.413 5.269 1.373 1.00 0.00 H new ATOM 0 HG12 ILE C 10 -6.433 3.858 -0.448 1.00 0.00 H new ATOM 0 HG13 ILE C 10 -5.067 3.071 0.318 1.00 0.00 H new ATOM 0 HG21 ILE C 10 -6.686 6.270 1.415 1.00 0.00 H new ATOM 0 HG22 ILE C 10 -5.537 7.331 0.565 1.00 0.00 H new ATOM 0 HG23 ILE C 10 -6.689 6.341 -0.363 1.00 0.00 H new ATOM 0 HD11 ILE C 10 -7.129 2.748 1.660 1.00 0.00 H new ATOM 0 HD12 ILE C 10 -5.940 3.713 2.567 1.00 0.00 H new ATOM 0 HD13 ILE C 10 -7.327 4.512 1.790 1.00 0.00 H new ATOM 816 N GLU C 11 -2.285 6.672 0.076 1.00 0.00 N ATOM 817 CA GLU C 11 -1.459 7.864 0.225 1.00 0.00 C ATOM 818 C GLU C 11 -1.043 8.408 -1.145 1.00 0.00 C ATOM 819 O GLU C 11 -0.782 9.602 -1.290 1.00 0.00 O ATOM 820 CB GLU C 11 -0.199 7.534 1.063 1.00 0.00 C ATOM 821 CG GLU C 11 -0.466 7.832 2.551 1.00 0.00 C ATOM 822 CD GLU C 11 -1.639 6.996 3.050 1.00 0.00 C ATOM 823 OE1 GLU C 11 -2.695 7.074 2.445 1.00 0.00 O ATOM 824 OE2 GLU C 11 -1.465 6.292 4.031 1.00 0.00 O ATOM 0 H GLU C 11 -1.964 5.862 0.606 1.00 0.00 H new ATOM 0 HA GLU C 11 -2.044 8.626 0.739 1.00 0.00 H new ATOM 0 HB2 GLU C 11 0.069 6.485 0.936 1.00 0.00 H new ATOM 0 HB3 GLU C 11 0.647 8.124 0.711 1.00 0.00 H new ATOM 0 HG2 GLU C 11 0.424 7.611 3.140 1.00 0.00 H new ATOM 0 HG3 GLU C 11 -0.682 8.892 2.685 1.00 0.00 H new ATOM 831 N GLY C 12 -0.978 7.529 -2.141 1.00 0.00 N ATOM 832 CA GLY C 12 -0.585 7.951 -3.478 1.00 0.00 C ATOM 833 C GLY C 12 -1.663 8.823 -4.105 1.00 0.00 C ATOM 834 O GLY C 12 -1.517 9.297 -5.232 1.00 0.00 O ATOM 0 H GLY C 12 -1.189 6.535 -2.049 1.00 0.00 H new ATOM 0 HA2 GLY C 12 0.354 8.503 -3.429 1.00 0.00 H new ATOM 0 HA3 GLY C 12 -0.408 7.076 -4.104 1.00 0.00 H new ATOM 838 N GLY C 13 -2.743 9.037 -3.362 1.00 0.00 N ATOM 839 CA GLY C 13 -3.843 9.863 -3.849 1.00 0.00 C ATOM 840 C GLY C 13 -4.681 9.117 -4.879 1.00 0.00 C ATOM 841 O GLY C 13 -4.153 8.397 -5.725 1.00 0.00 O ATOM 0 H GLY C 13 -2.881 8.654 -2.427 1.00 0.00 H new ATOM 0 HA2 GLY C 13 -4.474 10.163 -3.012 1.00 0.00 H new ATOM 0 HA3 GLY C 13 -3.446 10.776 -4.292 1.00 0.00 H new ATOM 845 N TRP C 14 -5.995 9.295 -4.789 1.00 0.00 N ATOM 846 CA TRP C 14 -6.923 8.637 -5.707 1.00 0.00 C ATOM 847 C TRP C 14 -6.885 9.301 -7.092 1.00 0.00 C ATOM 848 O TRP C 14 -6.996 8.627 -8.115 1.00 0.00 O ATOM 849 CB TRP C 14 -8.349 8.711 -5.131 1.00 0.00 C ATOM 850 CG TRP C 14 -9.346 8.305 -6.175 1.00 0.00 C ATOM 851 CD1 TRP C 14 -10.095 9.162 -6.906 1.00 0.00 C ATOM 852 CD2 TRP C 14 -9.712 6.966 -6.609 1.00 0.00 C ATOM 853 NE1 TRP C 14 -10.902 8.428 -7.761 1.00 0.00 N ATOM 854 CE2 TRP C 14 -10.699 7.069 -7.614 1.00 0.00 C ATOM 855 CE3 TRP C 14 -9.285 5.677 -6.228 1.00 0.00 C ATOM 856 CZ2 TRP C 14 -11.245 5.946 -8.222 1.00 0.00 C ATOM 857 CZ3 TRP C 14 -9.839 4.535 -6.846 1.00 0.00 C ATOM 858 CH2 TRP C 14 -10.818 4.676 -7.841 1.00 0.00 C ATOM 0 H TRP C 14 -6.443 9.889 -4.091 1.00 0.00 H new ATOM 0 HA TRP C 14 -6.624 7.595 -5.820 1.00 0.00 H new ATOM 0 HB2 TRP C 14 -8.433 8.058 -4.262 1.00 0.00 H new ATOM 0 HB3 TRP C 14 -8.560 9.724 -4.790 1.00 0.00 H new ATOM 0 HD1 TRP C 14 -10.069 10.239 -6.835 1.00 0.00 H new ATOM 0 HE1 TRP C 14 -11.564 8.840 -8.418 1.00 0.00 H new ATOM 0 HE3 TRP C 14 -8.532 5.563 -5.462 1.00 0.00 H new ATOM 0 HZ2 TRP C 14 -11.998 6.057 -8.988 1.00 0.00 H new ATOM 0 HZ3 TRP C 14 -9.508 3.550 -6.552 1.00 0.00 H new ATOM 0 HH2 TRP C 14 -11.240 3.800 -8.311 1.00 0.00 H new ATOM 869 N THR C 15 -6.733 10.623 -7.108 1.00 0.00 N ATOM 870 CA THR C 15 -6.692 11.364 -8.373 1.00 0.00 C ATOM 871 C THR C 15 -5.392 11.070 -9.127 1.00 0.00 C ATOM 872 O THR C 15 -5.323 11.221 -10.347 1.00 0.00 O ATOM 873 CB THR C 15 -6.804 12.876 -8.098 1.00 0.00 C ATOM 874 OG1 THR C 15 -7.920 13.118 -7.250 1.00 0.00 O ATOM 875 CG2 THR C 15 -6.993 13.642 -9.423 1.00 0.00 C ATOM 0 H THR C 15 -6.637 11.200 -6.273 1.00 0.00 H new ATOM 0 HA THR C 15 -7.533 11.045 -8.989 1.00 0.00 H new ATOM 0 HB THR C 15 -5.890 13.220 -7.614 1.00 0.00 H new ATOM 0 HG1 THR C 15 -7.993 14.079 -7.072 1.00 0.00 H new ATOM 0 HG21 THR C 15 -7.071 14.710 -9.218 1.00 0.00 H new ATOM 0 HG22 THR C 15 -6.138 13.459 -10.074 1.00 0.00 H new ATOM 0 HG23 THR C 15 -7.903 13.299 -9.915 1.00 0.00 H new ATOM 883 N GLY C 16 -4.369 10.644 -8.390 1.00 0.00 N ATOM 884 CA GLY C 16 -3.078 10.325 -8.997 1.00 0.00 C ATOM 885 C GLY C 16 -3.184 9.083 -9.878 1.00 0.00 C ATOM 886 O GLY C 16 -2.653 9.048 -10.991 1.00 0.00 O ATOM 0 H GLY C 16 -4.407 10.512 -7.379 1.00 0.00 H new ATOM 0 HA2 GLY C 16 -2.733 11.170 -9.592 1.00 0.00 H new ATOM 0 HA3 GLY C 16 -2.335 10.160 -8.217 1.00 0.00 H new ATOM 890 N MET C 17 -3.859 8.070 -9.365 1.00 0.00 N ATOM 891 CA MET C 17 -4.026 6.815 -10.102 1.00 0.00 C ATOM 892 C MET C 17 -4.704 7.056 -11.453 1.00 0.00 C ATOM 893 O MET C 17 -4.252 6.554 -12.481 1.00 0.00 O ATOM 894 CB MET C 17 -4.867 5.833 -9.268 1.00 0.00 C ATOM 895 CG MET C 17 -4.838 4.446 -9.917 1.00 0.00 C ATOM 896 SD MET C 17 -5.598 3.239 -8.793 1.00 0.00 S ATOM 897 CE MET C 17 -7.305 3.446 -9.351 1.00 0.00 C ATOM 0 H MET C 17 -4.301 8.084 -8.446 1.00 0.00 H new ATOM 0 HA MET C 17 -3.039 6.391 -10.285 1.00 0.00 H new ATOM 0 HB2 MET C 17 -4.477 5.778 -8.252 1.00 0.00 H new ATOM 0 HB3 MET C 17 -5.894 6.190 -9.196 1.00 0.00 H new ATOM 0 HG2 MET C 17 -5.375 4.465 -10.865 1.00 0.00 H new ATOM 0 HG3 MET C 17 -3.811 4.157 -10.138 1.00 0.00 H new ATOM 0 HE1 MET C 17 -7.957 2.784 -8.781 1.00 0.00 H new ATOM 0 HE2 MET C 17 -7.615 4.480 -9.198 1.00 0.00 H new ATOM 0 HE3 MET C 17 -7.374 3.199 -10.410 1.00 0.00 H new ATOM 907 N ILE C 18 -5.790 7.820 -11.441 1.00 0.00 N ATOM 908 CA ILE C 18 -6.520 8.110 -12.675 1.00 0.00 C ATOM 909 C ILE C 18 -5.669 8.958 -13.622 1.00 0.00 C ATOM 910 O ILE C 18 -5.586 8.678 -14.819 1.00 0.00 O ATOM 911 CB ILE C 18 -7.815 8.847 -12.351 1.00 0.00 C ATOM 912 CG1 ILE C 18 -8.601 8.051 -11.294 1.00 0.00 C ATOM 913 CG2 ILE C 18 -8.661 8.976 -13.624 1.00 0.00 C ATOM 914 CD1 ILE C 18 -9.843 8.833 -10.888 1.00 0.00 C ATOM 0 H ILE C 18 -6.183 8.247 -10.602 1.00 0.00 H new ATOM 0 HA ILE C 18 -6.752 7.165 -13.167 1.00 0.00 H new ATOM 0 HB ILE C 18 -7.584 9.840 -11.966 1.00 0.00 H new ATOM 0 HG12 ILE C 18 -8.886 7.078 -11.694 1.00 0.00 H new ATOM 0 HG13 ILE C 18 -7.974 7.866 -10.422 1.00 0.00 H new ATOM 0 HG21 ILE C 18 -9.587 9.503 -13.394 1.00 0.00 H new ATOM 0 HG22 ILE C 18 -8.104 9.534 -14.376 1.00 0.00 H new ATOM 0 HG23 ILE C 18 -8.894 7.983 -14.008 1.00 0.00 H new ATOM 0 HD11 ILE C 18 -10.399 8.269 -10.139 1.00 0.00 H new ATOM 0 HD12 ILE C 18 -9.547 9.796 -10.471 1.00 0.00 H new ATOM 0 HD13 ILE C 18 -10.473 8.995 -11.763 1.00 0.00 H new ATOM 926 N ASP C 19 -5.041 9.989 -13.074 1.00 0.00 N ATOM 927 CA ASP C 19 -4.197 10.874 -13.870 1.00 0.00 C ATOM 928 C ASP C 19 -3.161 10.079 -14.651 1.00 0.00 C ATOM 929 O ASP C 19 -2.929 10.336 -15.832 1.00 0.00 O ATOM 930 CB ASP C 19 -3.480 11.864 -12.955 1.00 0.00 C ATOM 931 CG ASP C 19 -2.780 12.933 -13.791 1.00 0.00 C ATOM 932 OD1 ASP C 19 -2.943 12.913 -15.002 1.00 0.00 O ATOM 933 OD2 ASP C 19 -2.092 13.756 -13.209 1.00 0.00 O ATOM 0 H ASP C 19 -5.098 10.234 -12.086 1.00 0.00 H new ATOM 0 HA ASP C 19 -4.834 11.410 -14.574 1.00 0.00 H new ATOM 0 HB2 ASP C 19 -4.196 12.331 -12.278 1.00 0.00 H new ATOM 0 HB3 ASP C 19 -2.752 11.339 -12.337 1.00 0.00 H new ATOM 938 N GLY C 20 -2.532 9.118 -13.987 1.00 0.00 N ATOM 939 CA GLY C 20 -1.513 8.301 -14.637 1.00 0.00 C ATOM 940 C GLY C 20 -2.121 7.398 -15.697 1.00 0.00 C ATOM 941 O GLY C 20 -1.558 7.232 -16.776 1.00 0.00 O ATOM 0 H GLY C 20 -2.706 8.886 -13.009 1.00 0.00 H new ATOM 0 HA2 GLY C 20 -0.763 8.947 -15.093 1.00 0.00 H new ATOM 0 HA3 GLY C 20 -1.000 7.695 -13.891 1.00 0.00 H new ATOM 945 N TRP C 21 -3.279 6.818 -15.396 1.00 0.00 N ATOM 946 CA TRP C 21 -3.946 5.940 -16.356 1.00 0.00 C ATOM 947 C TRP C 21 -4.001 6.612 -17.738 1.00 0.00 C ATOM 948 O TRP C 21 -3.486 6.079 -18.720 1.00 0.00 O ATOM 949 CB TRP C 21 -5.382 5.634 -15.868 1.00 0.00 C ATOM 950 CG TRP C 21 -5.817 4.281 -16.363 1.00 0.00 C ATOM 951 CD1 TRP C 21 -5.439 3.722 -17.537 1.00 0.00 C ATOM 952 CD2 TRP C 21 -6.697 3.321 -15.719 1.00 0.00 C ATOM 953 NE1 TRP C 21 -6.034 2.479 -17.650 1.00 0.00 N ATOM 954 CE2 TRP C 21 -6.820 2.188 -16.552 1.00 0.00 C ATOM 955 CE3 TRP C 21 -7.399 3.324 -14.498 1.00 0.00 C ATOM 956 CZ2 TRP C 21 -7.602 1.099 -16.196 1.00 0.00 C ATOM 957 CZ3 TRP C 21 -8.195 2.218 -14.135 1.00 0.00 C ATOM 958 CH2 TRP C 21 -8.292 1.110 -14.988 1.00 0.00 C ATOM 0 H TRP C 21 -3.770 6.936 -14.510 1.00 0.00 H new ATOM 0 HA TRP C 21 -3.384 5.010 -16.437 1.00 0.00 H new ATOM 0 HB2 TRP C 21 -5.418 5.661 -14.779 1.00 0.00 H new ATOM 0 HB3 TRP C 21 -6.068 6.400 -16.229 1.00 0.00 H new ATOM 0 HD1 TRP C 21 -4.781 4.173 -18.265 1.00 0.00 H new ATOM 0 HE1 TRP C 21 -5.908 1.854 -18.446 1.00 0.00 H new ATOM 0 HE3 TRP C 21 -7.327 4.176 -13.838 1.00 0.00 H new ATOM 0 HZ2 TRP C 21 -7.675 0.246 -16.854 1.00 0.00 H new ATOM 0 HZ3 TRP C 21 -8.731 2.225 -13.198 1.00 0.00 H new ATOM 0 HH2 TRP C 21 -8.903 0.265 -14.707 1.00 0.00 H new ATOM 969 N TYR C 22 -4.628 7.783 -17.795 1.00 0.00 N ATOM 970 CA TYR C 22 -4.743 8.518 -19.050 1.00 0.00 C ATOM 971 C TYR C 22 -3.366 8.952 -19.543 1.00 0.00 C ATOM 972 O TYR C 22 -3.135 9.066 -20.745 1.00 0.00 O ATOM 973 CB TYR C 22 -5.637 9.748 -18.859 1.00 0.00 C ATOM 974 CG TYR C 22 -7.078 9.306 -18.694 1.00 0.00 C ATOM 975 CD1 TYR C 22 -7.840 8.973 -19.823 1.00 0.00 C ATOM 976 CD2 TYR C 22 -7.647 9.226 -17.416 1.00 0.00 C ATOM 977 CE1 TYR C 22 -9.171 8.562 -19.673 1.00 0.00 C ATOM 978 CE2 TYR C 22 -8.980 8.814 -17.268 1.00 0.00 C ATOM 979 CZ TYR C 22 -9.740 8.483 -18.395 1.00 0.00 C ATOM 980 OH TYR C 22 -11.051 8.078 -18.248 1.00 0.00 O ATOM 0 H TYR C 22 -5.061 8.241 -16.993 1.00 0.00 H new ATOM 0 HA TYR C 22 -5.191 7.861 -19.795 1.00 0.00 H new ATOM 0 HB2 TYR C 22 -5.316 10.311 -17.983 1.00 0.00 H new ATOM 0 HB3 TYR C 22 -5.546 10.414 -19.717 1.00 0.00 H new ATOM 0 HD1 TYR C 22 -7.401 9.033 -20.808 1.00 0.00 H new ATOM 0 HD2 TYR C 22 -7.060 9.481 -16.546 1.00 0.00 H new ATOM 0 HE1 TYR C 22 -9.758 8.306 -20.542 1.00 0.00 H new ATOM 0 HE2 TYR C 22 -9.420 8.752 -16.283 1.00 0.00 H new ATOM 0 HH TYR C 22 -11.288 8.077 -17.297 1.00 0.00 H new ATOM 990 N GLY C 23 -2.452 9.191 -18.600 1.00 0.00 N ATOM 991 CA GLY C 23 -1.094 9.612 -18.951 1.00 0.00 C ATOM 992 C GLY C 23 -0.214 8.407 -19.259 1.00 0.00 C ATOM 993 O GLY C 23 0.414 7.839 -18.364 1.00 0.00 O ATOM 0 H GLY C 23 -2.624 9.102 -17.599 1.00 0.00 H new ATOM 0 HA2 GLY C 23 -1.126 10.274 -19.816 1.00 0.00 H new ATOM 0 HA3 GLY C 23 -0.662 10.182 -18.129 1.00 0.00 H new ATOM 997 N SER C 24 -0.171 8.021 -20.528 1.00 0.00 N ATOM 998 CA SER C 24 0.637 6.880 -20.943 1.00 0.00 C ATOM 999 C SER C 24 2.125 7.191 -20.784 1.00 0.00 C ATOM 1000 O SER C 24 2.505 7.637 -19.714 1.00 0.00 O ATOM 1001 CB SER C 24 0.338 6.532 -22.398 1.00 0.00 C ATOM 1002 OG SER C 24 1.275 5.557 -22.852 1.00 0.00 O ATOM 0 H SER C 24 -0.682 8.477 -21.284 1.00 0.00 H new ATOM 0 HA SER C 24 0.386 6.030 -20.309 1.00 0.00 H new ATOM 0 HB2 SER C 24 -0.678 6.148 -22.491 1.00 0.00 H new ATOM 0 HB3 SER C 24 0.398 7.427 -23.018 1.00 0.00 H new ATOM 0 HG SER C 24 1.084 5.330 -23.786 1.00 0.00 H new TER 1008 SER C 24