USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=13 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 154:sc= -1.83 (180deg=-5.14!) 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+ -119:sc= 0.155 (180deg=0) USER MOD Single : B 15 THR OG1 : rot -37:sc= -4.3! 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+ -119:sc= 0.101 (180deg=0) USER MOD Single : C 15 THR OG1 : rot -20:sc= 0.062 USER MOD Single : C 17 MET CE :methyl 158:sc= -0.0646 (180deg=-0.617) 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 18.188 -3.941 7.464 1.00 0.00 N ATOM 2 CA GLY A 1 18.451 -4.664 6.179 1.00 0.00 C ATOM 3 C GLY A 1 17.195 -4.644 5.322 1.00 0.00 C ATOM 4 O GLY A 1 17.081 -3.837 4.397 1.00 0.00 O ATOM 0 H1 GLY A 1 19.046 -3.954 8.051 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.922 -2.956 7.260 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.412 -4.410 7.974 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.276 -4.192 5.646 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.750 -5.692 6.382 1.00 0.00 H new ATOM 10 N LEU A 2 16.253 -5.511 5.630 1.00 0.00 N ATOM 11 CA LEU A 2 15.003 -5.559 4.878 1.00 0.00 C ATOM 12 C LEU A 2 14.249 -4.237 5.016 1.00 0.00 C ATOM 13 O LEU A 2 13.779 -3.670 4.024 1.00 0.00 O ATOM 14 CB LEU A 2 14.125 -6.707 5.394 1.00 0.00 C ATOM 15 CG LEU A 2 12.776 -6.729 4.627 1.00 0.00 C ATOM 16 CD1 LEU A 2 13.021 -7.072 3.143 1.00 0.00 C ATOM 17 CD2 LEU A 2 11.851 -7.793 5.253 1.00 0.00 C ATOM 0 H LEU A 2 16.322 -6.190 6.388 1.00 0.00 H new ATOM 0 HA LEU A 2 15.236 -5.726 3.827 1.00 0.00 H new ATOM 0 HB2 LEU A 2 14.642 -7.658 5.265 1.00 0.00 H new ATOM 0 HB3 LEU A 2 13.944 -6.586 6.462 1.00 0.00 H new ATOM 0 HG LEU A 2 12.308 -5.747 4.695 1.00 0.00 H new ATOM 0 HD11 LEU A 2 12.070 -7.086 2.611 1.00 0.00 H new ATOM 0 HD12 LEU A 2 13.674 -6.321 2.699 1.00 0.00 H new ATOM 0 HD13 LEU A 2 13.492 -8.052 3.069 1.00 0.00 H new ATOM 0 HD21 LEU A 2 10.902 -7.811 4.717 1.00 0.00 H new ATOM 0 HD22 LEU A 2 12.325 -8.772 5.185 1.00 0.00 H new ATOM 0 HD23 LEU A 2 11.671 -7.548 6.300 1.00 0.00 H new ATOM 29 N PHE A 3 14.138 -3.747 6.239 1.00 0.00 N ATOM 30 CA PHE A 3 13.444 -2.493 6.480 1.00 0.00 C ATOM 31 C PHE A 3 14.198 -1.339 5.829 1.00 0.00 C ATOM 32 O PHE A 3 13.588 -0.443 5.246 1.00 0.00 O ATOM 33 CB PHE A 3 13.304 -2.245 7.981 1.00 0.00 C ATOM 34 CG PHE A 3 12.543 -3.393 8.612 1.00 0.00 C ATOM 35 CD1 PHE A 3 11.145 -3.419 8.559 1.00 0.00 C ATOM 36 CD2 PHE A 3 13.240 -4.431 9.247 1.00 0.00 C ATOM 37 CE1 PHE A 3 10.442 -4.483 9.142 1.00 0.00 C ATOM 38 CE2 PHE A 3 12.536 -5.492 9.830 1.00 0.00 C ATOM 39 CZ PHE A 3 11.138 -5.519 9.777 1.00 0.00 C ATOM 0 H PHE A 3 14.516 -4.194 7.074 1.00 0.00 H new ATOM 0 HA PHE A 3 12.449 -2.557 6.040 1.00 0.00 H new ATOM 0 HB2 PHE A 3 14.289 -2.152 8.439 1.00 0.00 H new ATOM 0 HB3 PHE A 3 12.780 -1.306 8.158 1.00 0.00 H new ATOM 0 HD1 PHE A 3 10.608 -2.620 8.069 1.00 0.00 H new ATOM 0 HD2 PHE A 3 14.319 -4.412 9.286 1.00 0.00 H new ATOM 0 HE1 PHE A 3 9.363 -4.504 9.101 1.00 0.00 H new ATOM 0 HE2 PHE A 3 13.073 -6.290 10.321 1.00 0.00 H new ATOM 0 HZ PHE A 3 10.596 -6.338 10.226 1.00 0.00 H new ATOM 49 N GLY A 4 15.522 -1.364 5.926 1.00 0.00 N ATOM 50 CA GLY A 4 16.335 -0.314 5.334 1.00 0.00 C ATOM 51 C GLY A 4 16.081 -0.210 3.834 1.00 0.00 C ATOM 52 O GLY A 4 16.035 0.887 3.276 1.00 0.00 O ATOM 0 H GLY A 4 16.050 -2.094 6.405 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.110 0.639 5.812 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.390 -0.520 5.515 1.00 0.00 H new ATOM 56 N ALA A 5 15.918 -1.364 3.183 1.00 0.00 N ATOM 57 CA ALA A 5 15.670 -1.393 1.742 1.00 0.00 C ATOM 58 C ALA A 5 14.342 -0.726 1.411 1.00 0.00 C ATOM 59 O ALA A 5 14.243 0.035 0.451 1.00 0.00 O ATOM 60 CB ALA A 5 15.648 -2.844 1.248 1.00 0.00 C ATOM 0 H ALA A 5 15.953 -2.282 3.627 1.00 0.00 H new ATOM 0 HA ALA A 5 16.471 -0.847 1.244 1.00 0.00 H new ATOM 0 HB1 ALA A 5 15.463 -2.860 0.174 1.00 0.00 H new ATOM 0 HB2 ALA A 5 16.609 -3.314 1.458 1.00 0.00 H new ATOM 0 HB3 ALA A 5 14.857 -3.391 1.761 1.00 0.00 H new ATOM 66 N ILE A 6 13.321 -1.022 2.209 1.00 0.00 N ATOM 67 CA ILE A 6 11.999 -0.447 1.981 1.00 0.00 C ATOM 68 C ILE A 6 12.030 1.069 2.193 1.00 0.00 C ATOM 69 O ILE A 6 11.523 1.832 1.373 1.00 0.00 O ATOM 70 CB ILE A 6 10.983 -1.076 2.936 1.00 0.00 C ATOM 71 CG1 ILE A 6 10.878 -2.578 2.651 1.00 0.00 C ATOM 72 CG2 ILE A 6 9.609 -0.421 2.729 1.00 0.00 C ATOM 73 CD1 ILE A 6 10.081 -3.254 3.768 1.00 0.00 C ATOM 0 H ILE A 6 13.381 -1.650 3.011 1.00 0.00 H new ATOM 0 HA ILE A 6 11.706 -0.654 0.952 1.00 0.00 H new ATOM 0 HB ILE A 6 11.308 -0.921 3.965 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.390 -2.744 1.690 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.874 -3.017 2.583 1.00 0.00 H new ATOM 0 HG21 ILE A 6 8.886 -0.870 3.410 1.00 0.00 H new ATOM 0 HG22 ILE A 6 9.682 0.648 2.930 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.283 -0.576 1.700 1.00 0.00 H new ATOM 0 HD11 ILE A 6 10.006 -4.322 3.566 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.587 -3.100 4.721 1.00 0.00 H new ATOM 0 HD13 ILE A 6 9.081 -2.822 3.814 1.00 0.00 H new ATOM 85 N ALA A 7 12.632 1.491 3.297 1.00 0.00 N ATOM 86 CA ALA A 7 12.726 2.913 3.612 1.00 0.00 C ATOM 87 C ALA A 7 13.575 3.637 2.574 1.00 0.00 C ATOM 88 O ALA A 7 13.220 4.725 2.110 1.00 0.00 O ATOM 89 CB ALA A 7 13.347 3.095 4.999 1.00 0.00 C ATOM 0 H ALA A 7 13.061 0.874 3.987 1.00 0.00 H new ATOM 0 HA ALA A 7 11.722 3.338 3.602 1.00 0.00 H new ATOM 0 HB1 ALA A 7 13.415 4.158 5.230 1.00 0.00 H new ATOM 0 HB2 ALA A 7 12.724 2.601 5.744 1.00 0.00 H new ATOM 0 HB3 ALA A 7 14.345 2.656 5.011 1.00 0.00 H new ATOM 95 N ALA A 8 14.695 3.029 2.216 1.00 0.00 N ATOM 96 CA ALA A 8 15.589 3.618 1.237 1.00 0.00 C ATOM 97 C ALA A 8 14.958 3.600 -0.149 1.00 0.00 C ATOM 98 O ALA A 8 15.227 4.475 -0.972 1.00 0.00 O ATOM 99 CB ALA A 8 16.901 2.853 1.207 1.00 0.00 C ATOM 0 H ALA A 8 15.004 2.131 2.588 1.00 0.00 H new ATOM 0 HA ALA A 8 15.776 4.653 1.523 1.00 0.00 H new ATOM 0 HB1 ALA A 8 17.567 3.301 0.470 1.00 0.00 H new ATOM 0 HB2 ALA A 8 17.369 2.894 2.191 1.00 0.00 H new ATOM 0 HB3 ALA A 8 16.710 1.814 0.939 1.00 0.00 H new ATOM 105 N PHE A 9 14.113 2.605 -0.402 1.00 0.00 N ATOM 106 CA PHE A 9 13.449 2.493 -1.690 1.00 0.00 C ATOM 107 C PHE A 9 12.594 3.727 -1.959 1.00 0.00 C ATOM 108 O PHE A 9 12.541 4.220 -3.068 1.00 0.00 O ATOM 109 CB PHE A 9 12.568 1.226 -1.720 1.00 0.00 C ATOM 110 CG PHE A 9 11.699 1.232 -2.969 1.00 0.00 C ATOM 111 CD1 PHE A 9 12.292 1.317 -4.235 1.00 0.00 C ATOM 112 CD2 PHE A 9 10.302 1.155 -2.855 1.00 0.00 C ATOM 113 CE1 PHE A 9 11.493 1.325 -5.382 1.00 0.00 C ATOM 114 CE2 PHE A 9 9.506 1.163 -4.004 1.00 0.00 C ATOM 115 CZ PHE A 9 10.101 1.248 -5.268 1.00 0.00 C ATOM 0 H PHE A 9 13.875 1.871 0.265 1.00 0.00 H new ATOM 0 HA PHE A 9 14.209 2.419 -2.468 1.00 0.00 H new ATOM 0 HB2 PHE A 9 13.196 0.335 -1.707 1.00 0.00 H new ATOM 0 HB3 PHE A 9 11.941 1.187 -0.830 1.00 0.00 H new ATOM 0 HD1 PHE A 9 13.367 1.376 -4.325 1.00 0.00 H new ATOM 0 HD2 PHE A 9 9.842 1.090 -1.880 1.00 0.00 H new ATOM 0 HE1 PHE A 9 11.951 1.391 -6.358 1.00 0.00 H new ATOM 0 HE2 PHE A 9 8.431 1.104 -3.916 1.00 0.00 H new ATOM 0 HZ PHE A 9 9.485 1.254 -6.155 1.00 0.00 H new ATOM 125 N ILE A 10 11.938 4.204 -0.937 1.00 0.00 N ATOM 126 CA ILE A 10 11.088 5.385 -1.065 1.00 0.00 C ATOM 127 C ILE A 10 11.925 6.666 -1.188 1.00 0.00 C ATOM 128 O ILE A 10 11.557 7.583 -1.924 1.00 0.00 O ATOM 129 CB ILE A 10 10.173 5.499 0.151 1.00 0.00 C ATOM 130 CG1 ILE A 10 9.394 4.187 0.322 1.00 0.00 C ATOM 131 CG2 ILE A 10 9.176 6.658 -0.055 1.00 0.00 C ATOM 132 CD1 ILE A 10 8.510 4.260 1.585 1.00 0.00 C ATOM 0 H ILE A 10 11.967 3.802 -0.000 1.00 0.00 H new ATOM 0 HA ILE A 10 10.493 5.272 -1.971 1.00 0.00 H new ATOM 0 HB ILE A 10 10.774 5.692 1.040 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.774 4.005 -0.556 1.00 0.00 H new ATOM 0 HG13 ILE A 10 10.088 3.350 0.401 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.524 6.736 0.815 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.724 7.591 -0.183 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.574 6.466 -0.943 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.961 3.325 1.699 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.139 4.420 2.461 1.00 0.00 H new ATOM 0 HD13 ILE A 10 7.805 5.086 1.488 1.00 0.00 H new ATOM 144 N GLU A 11 13.027 6.737 -0.441 1.00 0.00 N ATOM 145 CA GLU A 11 13.886 7.937 -0.451 1.00 0.00 C ATOM 146 C GLU A 11 14.828 7.990 -1.667 1.00 0.00 C ATOM 147 O GLU A 11 14.854 8.980 -2.397 1.00 0.00 O ATOM 148 CB GLU A 11 14.739 7.949 0.832 1.00 0.00 C ATOM 149 CG GLU A 11 13.940 8.560 1.985 1.00 0.00 C ATOM 150 CD GLU A 11 12.654 7.773 2.207 1.00 0.00 C ATOM 151 OE1 GLU A 11 11.800 7.814 1.337 1.00 0.00 O ATOM 152 OE2 GLU A 11 12.542 7.143 3.243 1.00 0.00 O ATOM 0 H GLU A 11 13.349 5.990 0.175 1.00 0.00 H new ATOM 0 HA GLU A 11 13.229 8.805 -0.507 1.00 0.00 H new ATOM 0 HB2 GLU A 11 15.042 6.933 1.087 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.651 8.522 0.667 1.00 0.00 H new ATOM 0 HG2 GLU A 11 14.540 8.556 2.895 1.00 0.00 H new ATOM 0 HG3 GLU A 11 13.705 9.601 1.763 1.00 0.00 H new ATOM 159 N GLY A 12 15.611 6.930 -1.856 1.00 0.00 N ATOM 160 CA GLY A 12 16.578 6.885 -2.975 1.00 0.00 C ATOM 161 C GLY A 12 16.127 5.934 -4.057 1.00 0.00 C ATOM 162 O GLY A 12 16.944 5.288 -4.707 1.00 0.00 O ATOM 0 H GLY A 12 15.604 6.099 -1.265 1.00 0.00 H new ATOM 0 HA2 GLY A 12 16.698 7.884 -3.394 1.00 0.00 H new ATOM 0 HA3 GLY A 12 17.554 6.576 -2.601 1.00 0.00 H new ATOM 166 N GLY A 13 14.827 5.854 -4.250 1.00 0.00 N ATOM 167 CA GLY A 13 14.264 4.974 -5.272 1.00 0.00 C ATOM 168 C GLY A 13 14.992 3.624 -5.303 1.00 0.00 C ATOM 169 O GLY A 13 15.418 3.115 -4.267 1.00 0.00 O ATOM 0 H GLY A 13 14.136 6.383 -3.718 1.00 0.00 H new ATOM 0 HA2 GLY A 13 13.204 4.814 -5.074 1.00 0.00 H new ATOM 0 HA3 GLY A 13 14.338 5.453 -6.249 1.00 0.00 H new ATOM 173 N TRP A 14 15.131 3.060 -6.496 1.00 0.00 N ATOM 174 CA TRP A 14 15.807 1.771 -6.653 1.00 0.00 C ATOM 175 C TRP A 14 17.230 1.831 -6.078 1.00 0.00 C ATOM 176 O TRP A 14 17.728 0.850 -5.524 1.00 0.00 O ATOM 177 CB TRP A 14 15.874 1.393 -8.125 1.00 0.00 C ATOM 178 CG TRP A 14 16.474 0.037 -8.255 1.00 0.00 C ATOM 179 CD1 TRP A 14 17.790 -0.215 -8.390 1.00 0.00 C ATOM 180 CD2 TRP A 14 15.805 -1.249 -8.261 1.00 0.00 C ATOM 181 NE1 TRP A 14 17.976 -1.585 -8.475 1.00 0.00 N ATOM 182 CE2 TRP A 14 16.776 -2.266 -8.400 1.00 0.00 C ATOM 183 CE3 TRP A 14 14.459 -1.626 -8.156 1.00 0.00 C ATOM 184 CZ2 TRP A 14 16.428 -3.612 -8.437 1.00 0.00 C ATOM 185 CZ3 TRP A 14 14.098 -2.993 -8.192 1.00 0.00 C ATOM 186 CH2 TRP A 14 15.088 -3.981 -8.334 1.00 0.00 C ATOM 0 H TRP A 14 14.789 3.468 -7.366 1.00 0.00 H new ATOM 0 HA TRP A 14 15.237 1.019 -6.108 1.00 0.00 H new ATOM 0 HB2 TRP A 14 14.875 1.405 -8.562 1.00 0.00 H new ATOM 0 HB3 TRP A 14 16.471 2.122 -8.673 1.00 0.00 H new ATOM 0 HD1 TRP A 14 18.572 0.529 -8.426 1.00 0.00 H new ATOM 0 HE1 TRP A 14 18.885 -2.035 -8.580 1.00 0.00 H new ATOM 0 HE3 TRP A 14 13.695 -0.870 -8.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 17.192 -4.367 -8.545 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 13.060 -3.278 -8.110 1.00 0.00 H new ATOM 0 HH2 TRP A 14 14.811 -5.024 -8.363 1.00 0.00 H new ATOM 197 N THR A 15 17.871 2.986 -6.217 1.00 0.00 N ATOM 198 CA THR A 15 19.237 3.168 -5.710 1.00 0.00 C ATOM 199 C THR A 15 19.284 2.988 -4.192 1.00 0.00 C ATOM 200 O THR A 15 20.206 2.371 -3.658 1.00 0.00 O ATOM 201 CB THR A 15 19.745 4.571 -6.077 1.00 0.00 C ATOM 202 OG1 THR A 15 19.454 4.835 -7.447 1.00 0.00 O ATOM 203 CG2 THR A 15 21.254 4.645 -5.852 1.00 0.00 C ATOM 0 H THR A 15 17.475 3.808 -6.672 1.00 0.00 H new ATOM 0 HA THR A 15 19.876 2.414 -6.169 1.00 0.00 H new ATOM 0 HB THR A 15 19.251 5.312 -5.449 1.00 0.00 H new ATOM 0 HG1 THR A 15 19.776 5.730 -7.683 1.00 0.00 H new ATOM 0 HG21 THR A 15 21.612 5.641 -6.113 1.00 0.00 H new ATOM 0 HG22 THR A 15 21.476 4.442 -4.804 1.00 0.00 H new ATOM 0 HG23 THR A 15 21.752 3.905 -6.478 1.00 0.00 H new ATOM 211 N GLY A 16 18.294 3.526 -3.511 1.00 0.00 N ATOM 212 CA GLY A 16 18.233 3.420 -2.059 1.00 0.00 C ATOM 213 C GLY A 16 17.991 1.980 -1.621 1.00 0.00 C ATOM 214 O GLY A 16 18.511 1.538 -0.597 1.00 0.00 O ATOM 0 H GLY A 16 17.521 4.040 -3.933 1.00 0.00 H new ATOM 0 HA2 GLY A 16 19.165 3.783 -1.626 1.00 0.00 H new ATOM 0 HA3 GLY A 16 17.435 4.058 -1.678 1.00 0.00 H new ATOM 218 N MET A 17 17.203 1.254 -2.397 1.00 0.00 N ATOM 219 CA MET A 17 16.897 -0.139 -2.068 1.00 0.00 C ATOM 220 C MET A 17 18.179 -0.953 -1.946 1.00 0.00 C ATOM 221 O MET A 17 18.375 -1.675 -0.965 1.00 0.00 O ATOM 222 CB MET A 17 15.995 -0.748 -3.152 1.00 0.00 C ATOM 223 CG MET A 17 15.254 -1.966 -2.590 1.00 0.00 C ATOM 224 SD MET A 17 14.091 -2.592 -3.834 1.00 0.00 S ATOM 225 CE MET A 17 15.316 -3.073 -5.080 1.00 0.00 C ATOM 0 H MET A 17 16.765 1.597 -3.252 1.00 0.00 H new ATOM 0 HA MET A 17 16.376 -0.163 -1.111 1.00 0.00 H new ATOM 0 HB2 MET A 17 15.278 -0.005 -3.501 1.00 0.00 H new ATOM 0 HB3 MET A 17 16.595 -1.042 -4.014 1.00 0.00 H new ATOM 0 HG2 MET A 17 15.966 -2.745 -2.318 1.00 0.00 H new ATOM 0 HG3 MET A 17 14.718 -1.692 -1.681 1.00 0.00 H new ATOM 0 HE1 MET A 17 14.908 -3.870 -5.702 1.00 0.00 H new ATOM 0 HE2 MET A 17 15.558 -2.212 -5.704 1.00 0.00 H new ATOM 0 HE3 MET A 17 16.220 -3.427 -4.584 1.00 0.00 H new ATOM 235 N ILE A 18 19.046 -0.836 -2.938 1.00 0.00 N ATOM 236 CA ILE A 18 20.303 -1.568 -2.924 1.00 0.00 C ATOM 237 C ILE A 18 21.148 -1.156 -1.729 1.00 0.00 C ATOM 238 O ILE A 18 21.644 -2.004 -0.988 1.00 0.00 O ATOM 239 CB ILE A 18 21.079 -1.300 -4.214 1.00 0.00 C ATOM 240 CG1 ILE A 18 20.200 -1.655 -5.426 1.00 0.00 C ATOM 241 CG2 ILE A 18 22.348 -2.161 -4.241 1.00 0.00 C ATOM 242 CD1 ILE A 18 20.870 -1.156 -6.720 1.00 0.00 C ATOM 0 H ILE A 18 18.905 -0.246 -3.758 1.00 0.00 H new ATOM 0 HA ILE A 18 20.080 -2.632 -2.849 1.00 0.00 H new ATOM 0 HB ILE A 18 21.353 -0.246 -4.256 1.00 0.00 H new ATOM 0 HG12 ILE A 18 20.051 -2.734 -5.475 1.00 0.00 H new ATOM 0 HG13 ILE A 18 19.215 -1.202 -5.318 1.00 0.00 H new ATOM 0 HG21 ILE A 18 22.899 -1.968 -5.161 1.00 0.00 H new ATOM 0 HG22 ILE A 18 22.974 -1.913 -3.384 1.00 0.00 H new ATOM 0 HG23 ILE A 18 22.074 -3.215 -4.197 1.00 0.00 H new ATOM 0 HD11 ILE A 18 20.244 -1.410 -7.575 1.00 0.00 H new ATOM 0 HD12 ILE A 18 20.996 -0.074 -6.671 1.00 0.00 H new ATOM 0 HD13 ILE A 18 21.845 -1.630 -6.831 1.00 0.00 H new ATOM 254 N ASP A 19 21.321 0.150 -1.551 1.00 0.00 N ATOM 255 CA ASP A 19 22.121 0.658 -0.445 1.00 0.00 C ATOM 256 C ASP A 19 21.544 0.213 0.893 1.00 0.00 C ATOM 257 O ASP A 19 22.277 -0.215 1.783 1.00 0.00 O ATOM 258 CB ASP A 19 22.169 2.187 -0.500 1.00 0.00 C ATOM 259 CG ASP A 19 23.235 2.711 0.457 1.00 0.00 C ATOM 260 OD1 ASP A 19 24.360 2.246 0.370 1.00 0.00 O ATOM 261 OD2 ASP A 19 22.911 3.567 1.261 1.00 0.00 O ATOM 0 H ASP A 19 20.921 0.869 -2.153 1.00 0.00 H new ATOM 0 HA ASP A 19 23.130 0.255 -0.538 1.00 0.00 H new ATOM 0 HB2 ASP A 19 22.388 2.516 -1.516 1.00 0.00 H new ATOM 0 HB3 ASP A 19 21.196 2.599 -0.234 1.00 0.00 H new ATOM 266 N GLY A 20 20.228 0.323 1.030 1.00 0.00 N ATOM 267 CA GLY A 20 19.567 -0.066 2.266 1.00 0.00 C ATOM 268 C GLY A 20 19.775 -1.545 2.555 1.00 0.00 C ATOM 269 O GLY A 20 19.958 -1.942 3.706 1.00 0.00 O ATOM 0 H GLY A 20 19.603 0.676 0.305 1.00 0.00 H new ATOM 0 HA2 GLY A 20 19.956 0.528 3.093 1.00 0.00 H new ATOM 0 HA3 GLY A 20 18.500 0.148 2.195 1.00 0.00 H new ATOM 273 N TRP A 21 19.739 -2.359 1.506 1.00 0.00 N ATOM 274 CA TRP A 21 19.918 -3.800 1.665 1.00 0.00 C ATOM 275 C TRP A 21 21.346 -4.123 2.091 1.00 0.00 C ATOM 276 O TRP A 21 21.569 -4.977 2.947 1.00 0.00 O ATOM 277 CB TRP A 21 19.601 -4.515 0.350 1.00 0.00 C ATOM 278 CG TRP A 21 19.775 -5.990 0.529 1.00 0.00 C ATOM 279 CD1 TRP A 21 20.786 -6.722 0.008 1.00 0.00 C ATOM 280 CD2 TRP A 21 18.933 -6.919 1.265 1.00 0.00 C ATOM 281 NE1 TRP A 21 20.618 -8.044 0.383 1.00 0.00 N ATOM 282 CE2 TRP A 21 19.488 -8.215 1.159 1.00 0.00 C ATOM 283 CE3 TRP A 21 17.748 -6.764 2.012 1.00 0.00 C ATOM 284 CZ2 TRP A 21 18.896 -9.316 1.765 1.00 0.00 C ATOM 285 CZ3 TRP A 21 17.147 -7.881 2.629 1.00 0.00 C ATOM 286 CH2 TRP A 21 17.726 -9.154 2.503 1.00 0.00 C ATOM 0 H TRP A 21 19.589 -2.051 0.545 1.00 0.00 H new ATOM 0 HA TRP A 21 19.235 -4.146 2.441 1.00 0.00 H new ATOM 0 HB2 TRP A 21 18.580 -4.294 0.040 1.00 0.00 H new ATOM 0 HB3 TRP A 21 20.259 -4.154 -0.440 1.00 0.00 H new ATOM 0 HD1 TRP A 21 21.592 -6.338 -0.600 1.00 0.00 H new ATOM 0 HE1 TRP A 21 21.251 -8.799 0.119 1.00 0.00 H new ATOM 0 HE3 TRP A 21 17.299 -5.787 2.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 19.342 -10.295 1.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 16.239 -7.757 3.200 1.00 0.00 H new ATOM 0 HH2 TRP A 21 17.264 -10.007 2.978 1.00 0.00 H new ATOM 297 N TYR A 22 22.309 -3.431 1.495 1.00 0.00 N ATOM 298 CA TYR A 22 23.712 -3.649 1.825 1.00 0.00 C ATOM 299 C TYR A 22 24.038 -3.060 3.197 1.00 0.00 C ATOM 300 O TYR A 22 24.793 -3.650 3.971 1.00 0.00 O ATOM 301 CB TYR A 22 24.612 -2.997 0.746 1.00 0.00 C ATOM 302 CG TYR A 22 24.942 -4.018 -0.328 1.00 0.00 C ATOM 303 CD1 TYR A 22 23.970 -4.389 -1.264 1.00 0.00 C ATOM 304 CD2 TYR A 22 26.221 -4.590 -0.382 1.00 0.00 C ATOM 305 CE1 TYR A 22 24.275 -5.332 -2.252 1.00 0.00 C ATOM 306 CE2 TYR A 22 26.525 -5.531 -1.370 1.00 0.00 C ATOM 307 CZ TYR A 22 25.552 -5.902 -2.305 1.00 0.00 C ATOM 308 OH TYR A 22 25.852 -6.831 -3.279 1.00 0.00 O ATOM 0 H TYR A 22 22.146 -2.718 0.784 1.00 0.00 H new ATOM 0 HA TYR A 22 23.901 -4.722 1.853 1.00 0.00 H new ATOM 0 HB2 TYR A 22 24.104 -2.140 0.303 1.00 0.00 H new ATOM 0 HB3 TYR A 22 25.529 -2.623 1.201 1.00 0.00 H new ATOM 0 HD1 TYR A 22 22.985 -3.948 -1.224 1.00 0.00 H new ATOM 0 HD2 TYR A 22 26.971 -4.304 0.340 1.00 0.00 H new ATOM 0 HE1 TYR A 22 23.525 -5.620 -2.974 1.00 0.00 H new ATOM 0 HE2 TYR A 22 27.510 -5.971 -1.412 1.00 0.00 H new ATOM 0 HH TYR A 22 26.781 -7.126 -3.175 1.00 0.00 H new ATOM 318 N GLY A 23 23.471 -1.897 3.488 1.00 0.00 N ATOM 319 CA GLY A 23 23.715 -1.243 4.766 1.00 0.00 C ATOM 320 C GLY A 23 23.560 -2.227 5.919 1.00 0.00 C ATOM 321 O GLY A 23 22.483 -2.779 6.136 1.00 0.00 O ATOM 0 H GLY A 23 22.844 -1.391 2.862 1.00 0.00 H new ATOM 0 HA2 GLY A 23 24.719 -0.820 4.776 1.00 0.00 H new ATOM 0 HA3 GLY A 23 23.019 -0.414 4.894 1.00 0.00 H new ATOM 325 N SER A 24 24.644 -2.442 6.657 1.00 0.00 N ATOM 326 CA SER A 24 24.615 -3.366 7.790 1.00 0.00 C ATOM 327 C SER A 24 24.031 -2.681 9.022 1.00 0.00 C ATOM 328 O SER A 24 23.113 -1.896 8.860 1.00 0.00 O ATOM 329 CB SER A 24 26.027 -3.854 8.097 1.00 0.00 C ATOM 330 OG SER A 24 26.006 -4.634 9.290 1.00 0.00 O ATOM 0 H SER A 24 25.546 -1.995 6.495 1.00 0.00 H new ATOM 0 HA SER A 24 23.986 -4.217 7.528 1.00 0.00 H new ATOM 0 HB2 SER A 24 26.407 -4.449 7.266 1.00 0.00 H new ATOM 0 HB3 SER A 24 26.700 -3.005 8.216 1.00 0.00 H new ATOM 0 HG SER A 24 26.912 -4.951 9.490 1.00 0.00 H new TER 336 SER A 24 ATOM 337 N GLY B 1 38.952 -3.858 7.061 1.00 0.00 N ATOM 338 CA GLY B 1 37.870 -4.877 7.181 1.00 0.00 C ATOM 339 C GLY B 1 36.823 -4.634 6.106 1.00 0.00 C ATOM 340 O GLY B 1 36.960 -3.723 5.287 1.00 0.00 O ATOM 0 H1 GLY B 1 39.857 -4.333 6.869 1.00 0.00 H new ATOM 0 H2 GLY B 1 38.731 -3.207 6.281 1.00 0.00 H new ATOM 0 H3 GLY B 1 39.024 -3.322 7.949 1.00 0.00 H new ATOM 0 HA2 GLY B 1 38.287 -5.879 7.078 1.00 0.00 H new ATOM 0 HA3 GLY B 1 37.412 -4.822 8.169 1.00 0.00 H new ATOM 346 N LEU B 2 35.776 -5.450 6.110 1.00 0.00 N ATOM 347 CA LEU B 2 34.712 -5.309 5.127 1.00 0.00 C ATOM 348 C LEU B 2 34.084 -3.928 5.225 1.00 0.00 C ATOM 349 O LEU B 2 33.858 -3.263 4.212 1.00 0.00 O ATOM 350 CB LEU B 2 33.636 -6.388 5.361 1.00 0.00 C ATOM 351 CG LEU B 2 32.428 -6.139 4.432 1.00 0.00 C ATOM 352 CD1 LEU B 2 32.868 -6.258 2.965 1.00 0.00 C ATOM 353 CD2 LEU B 2 31.344 -7.180 4.726 1.00 0.00 C ATOM 0 H LEU B 2 35.642 -6.210 6.777 1.00 0.00 H new ATOM 0 HA LEU B 2 35.137 -5.434 4.131 1.00 0.00 H new ATOM 0 HB2 LEU B 2 34.053 -7.377 5.171 1.00 0.00 H new ATOM 0 HB3 LEU B 2 33.314 -6.372 6.402 1.00 0.00 H new ATOM 0 HG LEU B 2 32.035 -5.138 4.608 1.00 0.00 H new ATOM 0 HD11 LEU B 2 32.012 -6.082 2.313 1.00 0.00 H new ATOM 0 HD12 LEU B 2 33.642 -5.519 2.756 1.00 0.00 H new ATOM 0 HD13 LEU B 2 33.262 -7.258 2.783 1.00 0.00 H new ATOM 0 HD21 LEU B 2 30.488 -7.009 4.073 1.00 0.00 H new ATOM 0 HD22 LEU B 2 31.742 -8.179 4.549 1.00 0.00 H new ATOM 0 HD23 LEU B 2 31.029 -7.094 5.766 1.00 0.00 H new ATOM 365 N PHE B 3 33.798 -3.505 6.444 1.00 0.00 N ATOM 366 CA PHE B 3 33.191 -2.205 6.660 1.00 0.00 C ATOM 367 C PHE B 3 33.990 -1.117 5.949 1.00 0.00 C ATOM 368 O PHE B 3 33.421 -0.212 5.341 1.00 0.00 O ATOM 369 CB PHE B 3 33.135 -1.896 8.157 1.00 0.00 C ATOM 370 CG PHE B 3 32.197 -2.866 8.839 1.00 0.00 C ATOM 371 CD1 PHE B 3 30.814 -2.724 8.689 1.00 0.00 C ATOM 372 CD2 PHE B 3 32.714 -3.909 9.625 1.00 0.00 C ATOM 373 CE1 PHE B 3 29.945 -3.622 9.322 1.00 0.00 C ATOM 374 CE2 PHE B 3 31.845 -4.804 10.257 1.00 0.00 C ATOM 375 CZ PHE B 3 30.461 -4.661 10.105 1.00 0.00 C ATOM 0 H PHE B 3 33.975 -4.040 7.294 1.00 0.00 H new ATOM 0 HA PHE B 3 32.180 -2.226 6.254 1.00 0.00 H new ATOM 0 HB2 PHE B 3 34.132 -1.971 8.592 1.00 0.00 H new ATOM 0 HB3 PHE B 3 32.795 -0.873 8.315 1.00 0.00 H new ATOM 0 HD1 PHE B 3 30.416 -1.922 8.085 1.00 0.00 H new ATOM 0 HD2 PHE B 3 33.782 -4.020 9.741 1.00 0.00 H new ATOM 0 HE1 PHE B 3 28.877 -3.513 9.206 1.00 0.00 H new ATOM 0 HE2 PHE B 3 32.242 -5.606 10.862 1.00 0.00 H new ATOM 0 HZ PHE B 3 29.790 -5.353 10.592 1.00 0.00 H new ATOM 385 N GLY B 4 35.312 -1.215 6.029 1.00 0.00 N ATOM 386 CA GLY B 4 36.184 -0.236 5.388 1.00 0.00 C ATOM 387 C GLY B 4 35.994 -0.241 3.875 1.00 0.00 C ATOM 388 O GLY B 4 35.786 0.805 3.265 1.00 0.00 O ATOM 0 H GLY B 4 35.802 -1.957 6.528 1.00 0.00 H new ATOM 0 HA2 GLY B 4 35.971 0.758 5.781 1.00 0.00 H new ATOM 0 HA3 GLY B 4 37.224 -0.458 5.628 1.00 0.00 H new ATOM 392 N ALA B 5 36.062 -1.423 3.279 1.00 0.00 N ATOM 393 CA ALA B 5 35.893 -1.548 1.836 1.00 0.00 C ATOM 394 C ALA B 5 34.607 -0.873 1.389 1.00 0.00 C ATOM 395 O ALA B 5 34.598 -0.114 0.422 1.00 0.00 O ATOM 396 CB ALA B 5 35.859 -3.028 1.441 1.00 0.00 C ATOM 0 H ALA B 5 36.231 -2.303 3.766 1.00 0.00 H new ATOM 0 HA ALA B 5 36.736 -1.060 1.346 1.00 0.00 H new ATOM 0 HB1 ALA B 5 35.733 -3.114 0.362 1.00 0.00 H new ATOM 0 HB2 ALA B 5 36.794 -3.505 1.736 1.00 0.00 H new ATOM 0 HB3 ALA B 5 35.026 -3.520 1.944 1.00 0.00 H new ATOM 402 N ILE B 6 33.525 -1.154 2.097 1.00 0.00 N ATOM 403 CA ILE B 6 32.235 -0.568 1.761 1.00 0.00 C ATOM 404 C ILE B 6 32.249 0.940 2.006 1.00 0.00 C ATOM 405 O ILE B 6 31.737 1.720 1.193 1.00 0.00 O ATOM 406 CB ILE B 6 31.130 -1.211 2.603 1.00 0.00 C ATOM 407 CG1 ILE B 6 31.037 -2.705 2.263 1.00 0.00 C ATOM 408 CG2 ILE B 6 29.777 -0.525 2.293 1.00 0.00 C ATOM 409 CD1 ILE B 6 30.102 -3.398 3.257 1.00 0.00 C ATOM 0 H ILE B 6 33.512 -1.780 2.903 1.00 0.00 H new ATOM 0 HA ILE B 6 32.041 -0.753 0.705 1.00 0.00 H new ATOM 0 HB ILE B 6 31.362 -1.091 3.661 1.00 0.00 H new ATOM 0 HG12 ILE B 6 30.665 -2.835 1.247 1.00 0.00 H new ATOM 0 HG13 ILE B 6 32.027 -3.160 2.301 1.00 0.00 H new ATOM 0 HG21 ILE B 6 28.991 -0.983 2.893 1.00 0.00 H new ATOM 0 HG22 ILE B 6 29.844 0.536 2.532 1.00 0.00 H new ATOM 0 HG23 ILE B 6 29.542 -0.644 1.235 1.00 0.00 H new ATOM 0 HD11 ILE B 6 30.036 -4.459 3.016 1.00 0.00 H new ATOM 0 HD12 ILE B 6 30.493 -3.280 4.268 1.00 0.00 H new ATOM 0 HD13 ILE B 6 29.110 -2.950 3.197 1.00 0.00 H new ATOM 421 N ALA B 7 32.831 1.346 3.129 1.00 0.00 N ATOM 422 CA ALA B 7 32.898 2.764 3.471 1.00 0.00 C ATOM 423 C ALA B 7 33.703 3.525 2.430 1.00 0.00 C ATOM 424 O ALA B 7 33.330 4.621 2.022 1.00 0.00 O ATOM 425 CB ALA B 7 33.541 2.940 4.851 1.00 0.00 C ATOM 0 H ALA B 7 33.259 0.722 3.812 1.00 0.00 H new ATOM 0 HA ALA B 7 31.884 3.163 3.492 1.00 0.00 H new ATOM 0 HB1 ALA B 7 33.587 4.001 5.098 1.00 0.00 H new ATOM 0 HB2 ALA B 7 32.945 2.418 5.600 1.00 0.00 H new ATOM 0 HB3 ALA B 7 34.549 2.526 4.838 1.00 0.00 H new ATOM 431 N ALA B 8 34.807 2.933 2.001 1.00 0.00 N ATOM 432 CA ALA B 8 35.658 3.559 1.000 1.00 0.00 C ATOM 433 C ALA B 8 34.948 3.605 -0.350 1.00 0.00 C ATOM 434 O ALA B 8 35.200 4.488 -1.166 1.00 0.00 O ATOM 435 CB ALA B 8 36.970 2.777 0.865 1.00 0.00 C ATOM 0 H ALA B 8 35.134 2.024 2.328 1.00 0.00 H new ATOM 0 HA ALA B 8 35.876 4.578 1.319 1.00 0.00 H new ATOM 0 HB1 ALA B 8 37.601 3.252 0.114 1.00 0.00 H new ATOM 0 HB2 ALA B 8 37.489 2.770 1.823 1.00 0.00 H new ATOM 0 HB3 ALA B 8 36.753 1.753 0.562 1.00 0.00 H new ATOM 441 N PHE B 9 34.064 2.647 -0.576 1.00 0.00 N ATOM 442 CA PHE B 9 33.327 2.592 -1.830 1.00 0.00 C ATOM 443 C PHE B 9 32.437 3.821 -1.968 1.00 0.00 C ATOM 444 O PHE B 9 32.307 4.390 -3.051 1.00 0.00 O ATOM 445 CB PHE B 9 32.477 1.314 -1.889 1.00 0.00 C ATOM 446 CG PHE B 9 31.911 1.133 -3.278 1.00 0.00 C ATOM 447 CD1 PHE B 9 32.647 0.448 -4.247 1.00 0.00 C ATOM 448 CD2 PHE B 9 30.645 1.648 -3.592 1.00 0.00 C ATOM 449 CE1 PHE B 9 32.120 0.274 -5.532 1.00 0.00 C ATOM 450 CE2 PHE B 9 30.120 1.475 -4.876 1.00 0.00 C ATOM 451 CZ PHE B 9 30.857 0.788 -5.847 1.00 0.00 C ATOM 0 H PHE B 9 33.840 1.903 0.085 1.00 0.00 H new ATOM 0 HA PHE B 9 34.038 2.578 -2.656 1.00 0.00 H new ATOM 0 HB2 PHE B 9 33.085 0.450 -1.620 1.00 0.00 H new ATOM 0 HB3 PHE B 9 31.667 1.372 -1.162 1.00 0.00 H new ATOM 0 HD1 PHE B 9 33.622 0.053 -4.005 1.00 0.00 H new ATOM 0 HD2 PHE B 9 30.076 2.178 -2.842 1.00 0.00 H new ATOM 0 HE1 PHE B 9 32.688 -0.257 -6.281 1.00 0.00 H new ATOM 0 HE2 PHE B 9 29.145 1.872 -5.119 1.00 0.00 H new ATOM 0 HZ PHE B 9 30.451 0.654 -6.839 1.00 0.00 H new ATOM 461 N ILE B 10 31.827 4.226 -0.862 1.00 0.00 N ATOM 462 CA ILE B 10 30.946 5.399 -0.864 1.00 0.00 C ATOM 463 C ILE B 10 31.748 6.683 -0.604 1.00 0.00 C ATOM 464 O ILE B 10 31.602 7.673 -1.318 1.00 0.00 O ATOM 465 CB ILE B 10 29.875 5.245 0.216 1.00 0.00 C ATOM 466 CG1 ILE B 10 29.148 3.904 0.025 1.00 0.00 C ATOM 467 CG2 ILE B 10 28.862 6.401 0.102 1.00 0.00 C ATOM 468 CD1 ILE B 10 28.264 3.623 1.238 1.00 0.00 C ATOM 0 H ILE B 10 31.921 3.768 0.044 1.00 0.00 H new ATOM 0 HA ILE B 10 30.474 5.471 -1.844 1.00 0.00 H new ATOM 0 HB ILE B 10 30.342 5.268 1.200 1.00 0.00 H new ATOM 0 HG12 ILE B 10 28.542 3.933 -0.880 1.00 0.00 H new ATOM 0 HG13 ILE B 10 29.873 3.101 -0.103 1.00 0.00 H new ATOM 0 HG21 ILE B 10 28.098 6.292 0.872 1.00 0.00 H new ATOM 0 HG22 ILE B 10 29.378 7.352 0.235 1.00 0.00 H new ATOM 0 HG23 ILE B 10 28.392 6.378 -0.881 1.00 0.00 H new ATOM 0 HD11 ILE B 10 27.749 2.672 1.101 1.00 0.00 H new ATOM 0 HD12 ILE B 10 28.881 3.575 2.135 1.00 0.00 H new ATOM 0 HD13 ILE B 10 27.529 4.421 1.345 1.00 0.00 H new ATOM 480 N GLU B 11 32.586 6.652 0.435 1.00 0.00 N ATOM 481 CA GLU B 11 33.401 7.825 0.794 1.00 0.00 C ATOM 482 C GLU B 11 34.673 7.897 -0.055 1.00 0.00 C ATOM 483 O GLU B 11 35.044 8.967 -0.541 1.00 0.00 O ATOM 484 CB GLU B 11 33.787 7.759 2.283 1.00 0.00 C ATOM 485 CG GLU B 11 32.565 8.079 3.154 1.00 0.00 C ATOM 486 CD GLU B 11 31.535 6.961 3.041 1.00 0.00 C ATOM 487 OE1 GLU B 11 31.841 5.856 3.458 1.00 0.00 O ATOM 488 OE2 GLU B 11 30.456 7.227 2.541 1.00 0.00 O ATOM 0 H GLU B 11 32.720 5.841 1.038 1.00 0.00 H new ATOM 0 HA GLU B 11 32.806 8.718 0.604 1.00 0.00 H new ATOM 0 HB2 GLU B 11 34.167 6.767 2.525 1.00 0.00 H new ATOM 0 HB3 GLU B 11 34.589 8.467 2.492 1.00 0.00 H new ATOM 0 HG2 GLU B 11 32.871 8.199 4.193 1.00 0.00 H new ATOM 0 HG3 GLU B 11 32.123 9.025 2.841 1.00 0.00 H new ATOM 495 N GLY B 12 35.334 6.760 -0.226 1.00 0.00 N ATOM 496 CA GLY B 12 36.566 6.717 -1.018 1.00 0.00 C ATOM 497 C GLY B 12 36.253 6.662 -2.506 1.00 0.00 C ATOM 498 O GLY B 12 37.129 6.395 -3.325 1.00 0.00 O ATOM 0 H GLY B 12 35.046 5.863 0.166 1.00 0.00 H new ATOM 0 HA2 GLY B 12 37.173 7.596 -0.802 1.00 0.00 H new ATOM 0 HA3 GLY B 12 37.156 5.845 -0.734 1.00 0.00 H new ATOM 502 N GLY B 13 34.996 6.915 -2.846 1.00 0.00 N ATOM 503 CA GLY B 13 34.571 6.888 -4.243 1.00 0.00 C ATOM 504 C GLY B 13 34.483 5.456 -4.753 1.00 0.00 C ATOM 505 O GLY B 13 35.266 4.596 -4.350 1.00 0.00 O ATOM 0 H GLY B 13 34.256 7.140 -2.181 1.00 0.00 H new ATOM 0 HA2 GLY B 13 33.601 7.375 -4.342 1.00 0.00 H new ATOM 0 HA3 GLY B 13 35.275 7.454 -4.853 1.00 0.00 H new ATOM 509 N TRP B 14 33.525 5.202 -5.643 1.00 0.00 N ATOM 510 CA TRP B 14 33.355 3.860 -6.198 1.00 0.00 C ATOM 511 C TRP B 14 34.353 3.620 -7.326 1.00 0.00 C ATOM 512 O TRP B 14 34.835 2.505 -7.519 1.00 0.00 O ATOM 513 CB TRP B 14 31.935 3.687 -6.724 1.00 0.00 C ATOM 514 CG TRP B 14 31.636 4.761 -7.714 1.00 0.00 C ATOM 515 CD1 TRP B 14 31.210 6.006 -7.404 1.00 0.00 C ATOM 516 CD2 TRP B 14 31.732 4.708 -9.163 1.00 0.00 C ATOM 517 NE1 TRP B 14 31.038 6.722 -8.578 1.00 0.00 N ATOM 518 CE2 TRP B 14 31.348 5.960 -9.690 1.00 0.00 C ATOM 519 CE3 TRP B 14 32.114 3.697 -10.068 1.00 0.00 C ATOM 520 CZ2 TRP B 14 31.340 6.210 -11.057 1.00 0.00 C ATOM 521 CZ3 TRP B 14 32.107 3.947 -11.458 1.00 0.00 C ATOM 522 CH2 TRP B 14 31.718 5.205 -11.946 1.00 0.00 C ATOM 0 H TRP B 14 32.864 5.896 -5.991 1.00 0.00 H new ATOM 0 HA TRP B 14 33.536 3.133 -5.406 1.00 0.00 H new ATOM 0 HB2 TRP B 14 31.825 2.708 -7.190 1.00 0.00 H new ATOM 0 HB3 TRP B 14 31.223 3.729 -5.900 1.00 0.00 H new ATOM 0 HD1 TRP B 14 31.033 6.381 -6.407 1.00 0.00 H new ATOM 0 HE1 TRP B 14 30.722 7.691 -8.617 1.00 0.00 H new ATOM 0 HE3 TRP B 14 32.413 2.728 -9.697 1.00 0.00 H new ATOM 0 HZ2 TRP B 14 31.042 7.179 -11.429 1.00 0.00 H new ATOM 0 HZ3 TRP B 14 32.401 3.169 -12.147 1.00 0.00 H new ATOM 0 HH2 TRP B 14 31.712 5.394 -13.009 1.00 0.00 H new ATOM 533 N THR B 15 34.658 4.681 -8.072 1.00 0.00 N ATOM 534 CA THR B 15 35.602 4.584 -9.186 1.00 0.00 C ATOM 535 C THR B 15 37.040 4.699 -8.688 1.00 0.00 C ATOM 536 O THR B 15 37.979 4.352 -9.401 1.00 0.00 O ATOM 537 CB THR B 15 35.322 5.698 -10.204 1.00 0.00 C ATOM 538 OG1 THR B 15 33.961 5.631 -10.612 1.00 0.00 O ATOM 539 CG2 THR B 15 36.230 5.524 -11.424 1.00 0.00 C ATOM 0 H THR B 15 34.268 5.612 -7.927 1.00 0.00 H new ATOM 0 HA THR B 15 35.473 3.612 -9.662 1.00 0.00 H new ATOM 0 HB THR B 15 35.520 6.666 -9.745 1.00 0.00 H new ATOM 0 HG1 THR B 15 33.683 4.693 -10.670 1.00 0.00 H new ATOM 0 HG21 THR B 15 36.028 6.317 -12.144 1.00 0.00 H new ATOM 0 HG22 THR B 15 37.273 5.575 -11.112 1.00 0.00 H new ATOM 0 HG23 THR B 15 36.037 4.556 -11.886 1.00 0.00 H new ATOM 547 N GLY B 16 37.206 5.197 -7.464 1.00 0.00 N ATOM 548 CA GLY B 16 38.538 5.361 -6.890 1.00 0.00 C ATOM 549 C GLY B 16 39.157 4.017 -6.525 1.00 0.00 C ATOM 550 O GLY B 16 40.367 3.830 -6.637 1.00 0.00 O ATOM 0 H GLY B 16 36.442 5.491 -6.856 1.00 0.00 H new ATOM 0 HA2 GLY B 16 39.181 5.878 -7.602 1.00 0.00 H new ATOM 0 HA3 GLY B 16 38.478 5.989 -6.001 1.00 0.00 H new ATOM 554 N MET B 17 38.324 3.085 -6.082 1.00 0.00 N ATOM 555 CA MET B 17 38.813 1.761 -5.699 1.00 0.00 C ATOM 556 C MET B 17 39.160 0.938 -6.939 1.00 0.00 C ATOM 557 O MET B 17 40.166 0.229 -6.964 1.00 0.00 O ATOM 558 CB MET B 17 37.744 1.030 -4.866 1.00 0.00 C ATOM 559 CG MET B 17 38.376 -0.174 -4.144 1.00 0.00 C ATOM 560 SD MET B 17 37.281 -0.713 -2.804 1.00 0.00 S ATOM 561 CE MET B 17 36.262 -1.840 -3.778 1.00 0.00 C ATOM 0 H MET B 17 37.318 3.215 -5.979 1.00 0.00 H new ATOM 0 HA MET B 17 39.715 1.883 -5.100 1.00 0.00 H new ATOM 0 HB2 MET B 17 37.307 1.714 -4.138 1.00 0.00 H new ATOM 0 HB3 MET B 17 36.934 0.693 -5.513 1.00 0.00 H new ATOM 0 HG2 MET B 17 38.537 -0.991 -4.848 1.00 0.00 H new ATOM 0 HG3 MET B 17 39.352 0.099 -3.743 1.00 0.00 H new ATOM 0 HE1 MET B 17 35.505 -2.293 -3.137 1.00 0.00 H new ATOM 0 HE2 MET B 17 35.774 -1.287 -4.581 1.00 0.00 H new ATOM 0 HE3 MET B 17 36.890 -2.622 -4.205 1.00 0.00 H new ATOM 571 N ILE B 18 38.319 1.043 -7.967 1.00 0.00 N ATOM 572 CA ILE B 18 38.547 0.308 -9.209 1.00 0.00 C ATOM 573 C ILE B 18 39.770 0.853 -9.936 1.00 0.00 C ATOM 574 O ILE B 18 40.610 0.092 -10.415 1.00 0.00 O ATOM 575 CB ILE B 18 37.321 0.420 -10.114 1.00 0.00 C ATOM 576 CG1 ILE B 18 36.091 -0.129 -9.378 1.00 0.00 C ATOM 577 CG2 ILE B 18 37.552 -0.391 -11.393 1.00 0.00 C ATOM 578 CD1 ILE B 18 34.827 0.238 -10.151 1.00 0.00 C ATOM 0 H ILE B 18 37.481 1.625 -7.965 1.00 0.00 H new ATOM 0 HA ILE B 18 38.722 -0.739 -8.963 1.00 0.00 H new ATOM 0 HB ILE B 18 37.156 1.466 -10.372 1.00 0.00 H new ATOM 0 HG12 ILE B 18 36.167 -1.212 -9.278 1.00 0.00 H new ATOM 0 HG13 ILE B 18 36.045 0.281 -8.369 1.00 0.00 H new ATOM 0 HG21 ILE B 18 36.677 -0.311 -12.038 1.00 0.00 H new ATOM 0 HG22 ILE B 18 38.426 -0.003 -11.917 1.00 0.00 H new ATOM 0 HG23 ILE B 18 37.718 -1.437 -11.136 1.00 0.00 H new ATOM 0 HD11 ILE B 18 33.954 -0.152 -9.628 1.00 0.00 H new ATOM 0 HD12 ILE B 18 34.749 1.323 -10.228 1.00 0.00 H new ATOM 0 HD13 ILE B 18 34.874 -0.194 -11.151 1.00 0.00 H new ATOM 590 N ASP B 19 39.869 2.174 -10.010 1.00 0.00 N ATOM 591 CA ASP B 19 40.996 2.807 -10.679 1.00 0.00 C ATOM 592 C ASP B 19 42.302 2.433 -9.986 1.00 0.00 C ATOM 593 O ASP B 19 43.320 2.223 -10.637 1.00 0.00 O ATOM 594 CB ASP B 19 40.824 4.328 -10.671 1.00 0.00 C ATOM 595 CG ASP B 19 41.828 4.973 -11.619 1.00 0.00 C ATOM 596 OD1 ASP B 19 42.864 4.373 -11.852 1.00 0.00 O ATOM 597 OD2 ASP B 19 41.547 6.059 -12.100 1.00 0.00 O ATOM 0 H ASP B 19 39.187 2.823 -9.618 1.00 0.00 H new ATOM 0 HA ASP B 19 41.030 2.455 -11.710 1.00 0.00 H new ATOM 0 HB2 ASP B 19 39.809 4.589 -10.971 1.00 0.00 H new ATOM 0 HB3 ASP B 19 40.966 4.713 -9.661 1.00 0.00 H new ATOM 602 N GLY B 20 42.260 2.355 -8.661 1.00 0.00 N ATOM 603 CA GLY B 20 43.448 2.006 -7.888 1.00 0.00 C ATOM 604 C GLY B 20 43.979 0.634 -8.295 1.00 0.00 C ATOM 605 O GLY B 20 45.150 0.488 -8.641 1.00 0.00 O ATOM 0 H GLY B 20 41.424 2.527 -8.102 1.00 0.00 H new ATOM 0 HA2 GLY B 20 44.221 2.759 -8.041 1.00 0.00 H new ATOM 0 HA3 GLY B 20 43.208 2.007 -6.825 1.00 0.00 H new ATOM 609 N TRP B 21 43.107 -0.372 -8.244 1.00 0.00 N ATOM 610 CA TRP B 21 43.503 -1.729 -8.604 1.00 0.00 C ATOM 611 C TRP B 21 44.091 -1.754 -10.016 1.00 0.00 C ATOM 612 O TRP B 21 45.124 -2.378 -10.257 1.00 0.00 O ATOM 613 CB TRP B 21 42.283 -2.669 -8.532 1.00 0.00 C ATOM 614 CG TRP B 21 42.747 -4.093 -8.461 1.00 0.00 C ATOM 615 CD1 TRP B 21 42.784 -4.952 -9.505 1.00 0.00 C ATOM 616 CD2 TRP B 21 43.234 -4.830 -7.307 1.00 0.00 C ATOM 617 NE1 TRP B 21 43.269 -6.170 -9.062 1.00 0.00 N ATOM 618 CE2 TRP B 21 43.560 -6.143 -7.712 1.00 0.00 C ATOM 619 CE3 TRP B 21 43.426 -4.487 -5.953 1.00 0.00 C ATOM 620 CZ2 TRP B 21 44.054 -7.083 -6.818 1.00 0.00 C ATOM 621 CZ3 TRP B 21 43.928 -5.439 -5.044 1.00 0.00 C ATOM 622 CH2 TRP B 21 44.241 -6.736 -5.481 1.00 0.00 C ATOM 0 H TRP B 21 42.132 -0.273 -7.960 1.00 0.00 H new ATOM 0 HA TRP B 21 44.262 -2.069 -7.900 1.00 0.00 H new ATOM 0 HB2 TRP B 21 41.678 -2.429 -7.658 1.00 0.00 H new ATOM 0 HB3 TRP B 21 41.649 -2.526 -9.407 1.00 0.00 H new ATOM 0 HD1 TRP B 21 42.484 -4.725 -10.517 1.00 0.00 H new ATOM 0 HE1 TRP B 21 43.396 -6.987 -9.659 1.00 0.00 H new ATOM 0 HE3 TRP B 21 43.187 -3.491 -5.611 1.00 0.00 H new ATOM 0 HZ2 TRP B 21 44.293 -8.080 -7.157 1.00 0.00 H new ATOM 0 HZ3 TRP B 21 44.072 -5.170 -4.008 1.00 0.00 H new ATOM 0 HH2 TRP B 21 44.626 -7.464 -4.782 1.00 0.00 H new ATOM 633 N TYR B 22 43.427 -1.070 -10.938 1.00 0.00 N ATOM 634 CA TYR B 22 43.894 -1.014 -12.323 1.00 0.00 C ATOM 635 C TYR B 22 45.194 -0.211 -12.419 1.00 0.00 C ATOM 636 O TYR B 22 46.129 -0.608 -13.113 1.00 0.00 O ATOM 637 CB TYR B 22 42.807 -0.366 -13.216 1.00 0.00 C ATOM 638 CG TYR B 22 41.929 -1.446 -13.815 1.00 0.00 C ATOM 639 CD1 TYR B 22 42.337 -2.112 -14.974 1.00 0.00 C ATOM 640 CD2 TYR B 22 40.711 -1.778 -13.208 1.00 0.00 C ATOM 641 CE1 TYR B 22 41.531 -3.109 -15.529 1.00 0.00 C ATOM 642 CE2 TYR B 22 39.904 -2.776 -13.763 1.00 0.00 C ATOM 643 CZ TYR B 22 40.314 -3.442 -14.923 1.00 0.00 C ATOM 644 OH TYR B 22 39.518 -4.426 -15.470 1.00 0.00 O ATOM 0 H TYR B 22 42.569 -0.549 -10.757 1.00 0.00 H new ATOM 0 HA TYR B 22 44.087 -2.030 -12.668 1.00 0.00 H new ATOM 0 HB2 TYR B 22 42.202 0.323 -12.627 1.00 0.00 H new ATOM 0 HB3 TYR B 22 43.274 0.218 -14.009 1.00 0.00 H new ATOM 0 HD1 TYR B 22 43.276 -1.856 -15.441 1.00 0.00 H new ATOM 0 HD2 TYR B 22 40.396 -1.264 -12.312 1.00 0.00 H new ATOM 0 HE1 TYR B 22 41.847 -3.623 -16.425 1.00 0.00 H new ATOM 0 HE2 TYR B 22 38.964 -3.033 -13.296 1.00 0.00 H new ATOM 0 HH TYR B 22 38.710 -4.533 -14.926 1.00 0.00 H new ATOM 654 N GLY B 23 45.241 0.912 -11.720 1.00 0.00 N ATOM 655 CA GLY B 23 46.425 1.757 -11.737 1.00 0.00 C ATOM 656 C GLY B 23 47.663 0.959 -11.353 1.00 0.00 C ATOM 657 O GLY B 23 48.030 0.889 -10.180 1.00 0.00 O ATOM 0 H GLY B 23 44.479 1.258 -11.137 1.00 0.00 H new ATOM 0 HA2 GLY B 23 46.557 2.186 -12.730 1.00 0.00 H new ATOM 0 HA3 GLY B 23 46.294 2.589 -11.045 1.00 0.00 H new ATOM 661 N SER B 24 48.305 0.356 -12.349 1.00 0.00 N ATOM 662 CA SER B 24 49.503 -0.437 -12.103 1.00 0.00 C ATOM 663 C SER B 24 50.524 0.368 -11.304 1.00 0.00 C ATOM 664 O SER B 24 50.381 1.578 -11.248 1.00 0.00 O ATOM 665 CB SER B 24 50.121 -0.872 -13.428 1.00 0.00 C ATOM 666 OG SER B 24 51.429 -1.388 -13.193 1.00 0.00 O ATOM 0 H SER B 24 48.018 0.401 -13.327 1.00 0.00 H new ATOM 0 HA SER B 24 49.220 -1.318 -11.527 1.00 0.00 H new ATOM 0 HB2 SER B 24 49.498 -1.631 -13.901 1.00 0.00 H new ATOM 0 HB3 SER B 24 50.169 -0.027 -14.114 1.00 0.00 H new ATOM 0 HG SER B 24 51.827 -1.670 -14.043 1.00 0.00 H new TER 672 SER B 24 ATOM 673 N GLY C 1 3.951 -3.944 5.228 1.00 0.00 N ATOM 674 CA GLY C 1 3.082 -5.151 5.164 1.00 0.00 C ATOM 675 C GLY C 1 1.735 -4.776 4.569 1.00 0.00 C ATOM 676 O GLY C 1 1.592 -3.728 3.951 1.00 0.00 O ATOM 0 H1 GLY C 1 4.801 -4.097 4.648 1.00 0.00 H new ATOM 0 H2 GLY C 1 3.429 -3.121 4.866 1.00 0.00 H new ATOM 0 H3 GLY C 1 4.232 -3.770 6.214 1.00 0.00 H new ATOM 0 HA2 GLY C 1 3.557 -5.922 4.558 1.00 0.00 H new ATOM 0 HA3 GLY C 1 2.947 -5.568 6.162 1.00 0.00 H new ATOM 682 N LEU C 2 0.752 -5.642 4.757 1.00 0.00 N ATOM 683 CA LEU C 2 -0.583 -5.396 4.226 1.00 0.00 C ATOM 684 C LEU C 2 -1.129 -4.055 4.711 1.00 0.00 C ATOM 685 O LEU C 2 -1.620 -3.258 3.920 1.00 0.00 O ATOM 686 CB LEU C 2 -1.534 -6.512 4.673 1.00 0.00 C ATOM 687 CG LEU C 2 -2.911 -6.334 3.981 1.00 0.00 C ATOM 688 CD1 LEU C 2 -2.784 -6.623 2.452 1.00 0.00 C ATOM 689 CD2 LEU C 2 -3.932 -7.307 4.612 1.00 0.00 C ATOM 0 H LEU C 2 0.850 -6.518 5.270 1.00 0.00 H new ATOM 0 HA LEU C 2 -0.514 -5.375 3.138 1.00 0.00 H new ATOM 0 HB2 LEU C 2 -1.112 -7.485 4.421 1.00 0.00 H new ATOM 0 HB3 LEU C 2 -1.655 -6.488 5.756 1.00 0.00 H new ATOM 0 HG LEU C 2 -3.251 -5.308 4.119 1.00 0.00 H new ATOM 0 HD11 LEU C 2 -3.756 -6.495 1.976 1.00 0.00 H new ATOM 0 HD12 LEU C 2 -2.069 -5.930 2.009 1.00 0.00 H new ATOM 0 HD13 LEU C 2 -2.438 -7.646 2.303 1.00 0.00 H new ATOM 0 HD21 LEU C 2 -4.900 -7.183 4.127 1.00 0.00 H new ATOM 0 HD22 LEU C 2 -3.588 -8.333 4.479 1.00 0.00 H new ATOM 0 HD23 LEU C 2 -4.029 -7.092 5.676 1.00 0.00 H new ATOM 701 N PHE C 3 -1.047 -3.817 6.008 1.00 0.00 N ATOM 702 CA PHE C 3 -1.547 -2.572 6.569 1.00 0.00 C ATOM 703 C PHE C 3 -0.811 -1.380 5.975 1.00 0.00 C ATOM 704 O PHE C 3 -1.431 -0.390 5.583 1.00 0.00 O ATOM 705 CB PHE C 3 -1.375 -2.575 8.087 1.00 0.00 C ATOM 706 CG PHE C 3 -2.168 -3.721 8.682 1.00 0.00 C ATOM 707 CD1 PHE C 3 -3.566 -3.709 8.621 1.00 0.00 C ATOM 708 CD2 PHE C 3 -1.503 -4.795 9.296 1.00 0.00 C ATOM 709 CE1 PHE C 3 -4.301 -4.766 9.170 1.00 0.00 C ATOM 710 CE2 PHE C 3 -2.239 -5.851 9.845 1.00 0.00 C ATOM 711 CZ PHE C 3 -3.637 -5.838 9.782 1.00 0.00 C ATOM 0 H PHE C 3 -0.643 -4.461 6.688 1.00 0.00 H new ATOM 0 HA PHE C 3 -2.606 -2.488 6.324 1.00 0.00 H new ATOM 0 HB2 PHE C 3 -0.321 -2.676 8.344 1.00 0.00 H new ATOM 0 HB3 PHE C 3 -1.716 -1.627 8.504 1.00 0.00 H new ATOM 0 HD1 PHE C 3 -4.078 -2.883 8.150 1.00 0.00 H new ATOM 0 HD2 PHE C 3 -0.424 -4.806 9.344 1.00 0.00 H new ATOM 0 HE1 PHE C 3 -5.380 -4.756 9.122 1.00 0.00 H new ATOM 0 HE2 PHE C 3 -1.728 -6.677 10.318 1.00 0.00 H new ATOM 0 HZ PHE C 3 -4.204 -6.654 10.205 1.00 0.00 H new ATOM 721 N GLY C 4 0.510 -1.474 5.914 1.00 0.00 N ATOM 722 CA GLY C 4 1.316 -0.391 5.369 1.00 0.00 C ATOM 723 C GLY C 4 1.067 -0.218 3.875 1.00 0.00 C ATOM 724 O GLY C 4 1.025 0.904 3.371 1.00 0.00 O ATOM 0 H GLY C 4 1.043 -2.283 6.233 1.00 0.00 H new ATOM 0 HA2 GLY C 4 1.082 0.538 5.889 1.00 0.00 H new ATOM 0 HA3 GLY C 4 2.372 -0.597 5.543 1.00 0.00 H new ATOM 728 N ALA C 5 0.910 -1.334 3.173 1.00 0.00 N ATOM 729 CA ALA C 5 0.675 -1.292 1.734 1.00 0.00 C ATOM 730 C ALA C 5 -0.650 -0.611 1.419 1.00 0.00 C ATOM 731 O ALA C 5 -0.723 0.233 0.533 1.00 0.00 O ATOM 732 CB ALA C 5 0.677 -2.716 1.156 1.00 0.00 C ATOM 0 H ALA C 5 0.941 -2.272 3.572 1.00 0.00 H new ATOM 0 HA ALA C 5 1.478 -0.715 1.276 1.00 0.00 H new ATOM 0 HB1 ALA C 5 0.501 -2.673 0.081 1.00 0.00 H new ATOM 0 HB2 ALA C 5 1.642 -3.185 1.347 1.00 0.00 H new ATOM 0 HB3 ALA C 5 -0.111 -3.302 1.630 1.00 0.00 H new ATOM 738 N ILE C 6 -1.689 -0.977 2.144 1.00 0.00 N ATOM 739 CA ILE C 6 -3.001 -0.384 1.921 1.00 0.00 C ATOM 740 C ILE C 6 -2.941 1.125 2.145 1.00 0.00 C ATOM 741 O ILE C 6 -3.434 1.909 1.327 1.00 0.00 O ATOM 742 CB ILE C 6 -4.033 -1.020 2.878 1.00 0.00 C ATOM 743 CG1 ILE C 6 -4.260 -2.485 2.476 1.00 0.00 C ATOM 744 CG2 ILE C 6 -5.370 -0.262 2.796 1.00 0.00 C ATOM 745 CD1 ILE C 6 -5.045 -3.202 3.576 1.00 0.00 C ATOM 0 H ILE C 6 -1.656 -1.675 2.887 1.00 0.00 H new ATOM 0 HA ILE C 6 -3.305 -0.574 0.892 1.00 0.00 H new ATOM 0 HB ILE C 6 -3.653 -0.966 3.898 1.00 0.00 H new ATOM 0 HG12 ILE C 6 -4.806 -2.534 1.534 1.00 0.00 H new ATOM 0 HG13 ILE C 6 -3.303 -2.981 2.315 1.00 0.00 H new ATOM 0 HG21 ILE C 6 -6.090 -0.719 3.475 1.00 0.00 H new ATOM 0 HG22 ILE C 6 -5.216 0.779 3.078 1.00 0.00 H new ATOM 0 HG23 ILE C 6 -5.753 -0.309 1.776 1.00 0.00 H new ATOM 0 HD11 ILE C 6 -5.206 -4.241 3.290 1.00 0.00 H new ATOM 0 HD12 ILE C 6 -4.481 -3.165 4.508 1.00 0.00 H new ATOM 0 HD13 ILE C 6 -6.008 -2.711 3.715 1.00 0.00 H new ATOM 757 N ALA C 7 -2.336 1.522 3.250 1.00 0.00 N ATOM 758 CA ALA C 7 -2.217 2.940 3.571 1.00 0.00 C ATOM 759 C ALA C 7 -1.350 3.650 2.533 1.00 0.00 C ATOM 760 O ALA C 7 -1.688 4.740 2.070 1.00 0.00 O ATOM 761 CB ALA C 7 -1.609 3.116 4.973 1.00 0.00 C ATOM 0 H ALA C 7 -1.922 0.892 3.937 1.00 0.00 H new ATOM 0 HA ALA C 7 -3.212 3.384 3.558 1.00 0.00 H new ATOM 0 HB1 ALA C 7 -1.525 4.178 5.202 1.00 0.00 H new ATOM 0 HB2 ALA C 7 -2.251 2.635 5.711 1.00 0.00 H new ATOM 0 HB3 ALA C 7 -0.620 2.659 5.001 1.00 0.00 H new ATOM 767 N ALA C 8 -0.235 3.025 2.171 1.00 0.00 N ATOM 768 CA ALA C 8 0.667 3.607 1.188 1.00 0.00 C ATOM 769 C ALA C 8 0.037 3.577 -0.206 1.00 0.00 C ATOM 770 O ALA C 8 0.350 4.411 -1.056 1.00 0.00 O ATOM 771 CB ALA C 8 1.984 2.836 1.171 1.00 0.00 C ATOM 0 H ALA C 8 0.063 2.122 2.541 1.00 0.00 H new ATOM 0 HA ALA C 8 0.856 4.644 1.465 1.00 0.00 H new ATOM 0 HB1 ALA C 8 2.654 3.277 0.433 1.00 0.00 H new ATOM 0 HB2 ALA C 8 2.447 2.885 2.157 1.00 0.00 H new ATOM 0 HB3 ALA C 8 1.793 1.795 0.911 1.00 0.00 H new ATOM 777 N PHE C 9 -0.853 2.612 -0.431 1.00 0.00 N ATOM 778 CA PHE C 9 -1.525 2.479 -1.720 1.00 0.00 C ATOM 779 C PHE C 9 -2.427 3.682 -1.990 1.00 0.00 C ATOM 780 O PHE C 9 -2.509 4.168 -3.117 1.00 0.00 O ATOM 781 CB PHE C 9 -2.369 1.199 -1.734 1.00 0.00 C ATOM 782 CG PHE C 9 -3.033 1.047 -3.087 1.00 0.00 C ATOM 783 CD1 PHE C 9 -2.271 0.675 -4.202 1.00 0.00 C ATOM 784 CD2 PHE C 9 -4.408 1.279 -3.226 1.00 0.00 C ATOM 785 CE1 PHE C 9 -2.882 0.534 -5.453 1.00 0.00 C ATOM 786 CE2 PHE C 9 -5.018 1.138 -4.476 1.00 0.00 C ATOM 787 CZ PHE C 9 -4.256 0.766 -5.590 1.00 0.00 C ATOM 0 H PHE C 9 -1.124 1.913 0.261 1.00 0.00 H new ATOM 0 HA PHE C 9 -0.764 2.430 -2.499 1.00 0.00 H new ATOM 0 HB2 PHE C 9 -1.740 0.333 -1.526 1.00 0.00 H new ATOM 0 HB3 PHE C 9 -3.124 1.240 -0.949 1.00 0.00 H new ATOM 0 HD1 PHE C 9 -1.211 0.497 -4.096 1.00 0.00 H new ATOM 0 HD2 PHE C 9 -4.997 1.567 -2.367 1.00 0.00 H new ATOM 0 HE1 PHE C 9 -2.294 0.246 -6.312 1.00 0.00 H new ATOM 0 HE2 PHE C 9 -6.078 1.316 -4.582 1.00 0.00 H new ATOM 0 HZ PHE C 9 -4.728 0.658 -6.555 1.00 0.00 H new ATOM 797 N ILE C 10 -3.110 4.151 -0.940 1.00 0.00 N ATOM 798 CA ILE C 10 -4.016 5.296 -1.074 1.00 0.00 C ATOM 799 C ILE C 10 -3.244 6.613 -1.075 1.00 0.00 C ATOM 800 O ILE C 10 -3.563 7.526 -1.836 1.00 0.00 O ATOM 801 CB ILE C 10 -5.028 5.299 0.073 1.00 0.00 C ATOM 802 CG1 ILE C 10 -5.809 3.973 0.059 1.00 0.00 C ATOM 803 CG2 ILE C 10 -6.002 6.476 -0.104 1.00 0.00 C ATOM 804 CD1 ILE C 10 -6.777 3.926 1.246 1.00 0.00 C ATOM 0 H ILE C 10 -3.054 3.761 0.001 1.00 0.00 H new ATOM 0 HA ILE C 10 -4.539 5.201 -2.026 1.00 0.00 H new ATOM 0 HB ILE C 10 -4.507 5.406 1.024 1.00 0.00 H new ATOM 0 HG12 ILE C 10 -6.361 3.876 -0.876 1.00 0.00 H new ATOM 0 HG13 ILE C 10 -5.117 3.132 0.109 1.00 0.00 H new ATOM 0 HG21 ILE C 10 -6.723 6.478 0.714 1.00 0.00 H new ATOM 0 HG22 ILE C 10 -5.445 7.413 -0.099 1.00 0.00 H new ATOM 0 HG23 ILE C 10 -6.529 6.373 -1.052 1.00 0.00 H new ATOM 0 HD11 ILE C 10 -7.327 2.985 1.230 1.00 0.00 H new ATOM 0 HD12 ILE C 10 -6.215 4.002 2.177 1.00 0.00 H new ATOM 0 HD13 ILE C 10 -7.479 4.757 1.176 1.00 0.00 H new ATOM 816 N GLU C 11 -2.236 6.708 -0.218 1.00 0.00 N ATOM 817 CA GLU C 11 -1.437 7.927 -0.131 1.00 0.00 C ATOM 818 C GLU C 11 -0.801 8.246 -1.485 1.00 0.00 C ATOM 819 O GLU C 11 -0.626 9.410 -1.841 1.00 0.00 O ATOM 820 CB GLU C 11 -0.330 7.759 0.949 1.00 0.00 C ATOM 821 CG GLU C 11 -0.810 8.350 2.294 1.00 0.00 C ATOM 822 CD GLU C 11 -1.967 7.524 2.850 1.00 0.00 C ATOM 823 OE1 GLU C 11 -2.791 7.088 2.066 1.00 0.00 O ATOM 824 OE2 GLU C 11 -2.011 7.341 4.057 1.00 0.00 O ATOM 0 H GLU C 11 -1.953 5.965 0.421 1.00 0.00 H new ATOM 0 HA GLU C 11 -2.090 8.753 0.151 1.00 0.00 H new ATOM 0 HB2 GLU C 11 -0.088 6.703 1.072 1.00 0.00 H new ATOM 0 HB3 GLU C 11 0.583 8.260 0.627 1.00 0.00 H new ATOM 0 HG2 GLU C 11 0.013 8.363 3.008 1.00 0.00 H new ATOM 0 HG3 GLU C 11 -1.126 9.384 2.153 1.00 0.00 H new ATOM 831 N GLY C 12 -0.453 7.209 -2.227 1.00 0.00 N ATOM 832 CA GLY C 12 0.166 7.391 -3.532 1.00 0.00 C ATOM 833 C GLY C 12 -0.816 8.007 -4.515 1.00 0.00 C ATOM 834 O GLY C 12 -0.523 8.131 -5.704 1.00 0.00 O ATOM 0 H GLY C 12 -0.587 6.236 -1.952 1.00 0.00 H new ATOM 0 HA2 GLY C 12 1.043 8.032 -3.437 1.00 0.00 H new ATOM 0 HA3 GLY C 12 0.513 6.430 -3.912 1.00 0.00 H new ATOM 838 N GLY C 13 -1.984 8.399 -4.011 1.00 0.00 N ATOM 839 CA GLY C 13 -3.002 9.012 -4.856 1.00 0.00 C ATOM 840 C GLY C 13 -3.710 7.967 -5.702 1.00 0.00 C ATOM 841 O GLY C 13 -3.214 7.563 -6.752 1.00 0.00 O ATOM 0 H GLY C 13 -2.246 8.304 -3.030 1.00 0.00 H new ATOM 0 HA2 GLY C 13 -3.729 9.535 -4.234 1.00 0.00 H new ATOM 0 HA3 GLY C 13 -2.541 9.758 -5.504 1.00 0.00 H new ATOM 845 N TRP C 14 -4.877 7.541 -5.237 1.00 0.00 N ATOM 846 CA TRP C 14 -5.665 6.547 -5.951 1.00 0.00 C ATOM 847 C TRP C 14 -5.902 6.987 -7.404 1.00 0.00 C ATOM 848 O TRP C 14 -6.107 6.156 -8.290 1.00 0.00 O ATOM 849 CB TRP C 14 -7.026 6.343 -5.222 1.00 0.00 C ATOM 850 CG TRP C 14 -8.079 7.195 -5.858 1.00 0.00 C ATOM 851 CD1 TRP C 14 -8.026 8.539 -5.972 1.00 0.00 C ATOM 852 CD2 TRP C 14 -9.328 6.780 -6.463 1.00 0.00 C ATOM 853 NE1 TRP C 14 -9.169 8.975 -6.615 1.00 0.00 N ATOM 854 CE2 TRP C 14 -10.004 7.924 -6.938 1.00 0.00 C ATOM 855 CE3 TRP C 14 -9.937 5.525 -6.646 1.00 0.00 C ATOM 856 CZ2 TRP C 14 -11.236 7.836 -7.571 1.00 0.00 C ATOM 857 CZ3 TRP C 14 -11.190 5.431 -7.288 1.00 0.00 C ATOM 858 CH2 TRP C 14 -11.835 6.590 -7.748 1.00 0.00 C ATOM 0 H TRP C 14 -5.298 7.869 -4.368 1.00 0.00 H new ATOM 0 HA TRP C 14 -5.118 5.605 -5.966 1.00 0.00 H new ATOM 0 HB2 TRP C 14 -7.319 5.294 -5.267 1.00 0.00 H new ATOM 0 HB3 TRP C 14 -6.926 6.601 -4.168 1.00 0.00 H new ATOM 0 HD1 TRP C 14 -7.223 9.169 -5.619 1.00 0.00 H new ATOM 0 HE1 TRP C 14 -9.371 9.953 -6.825 1.00 0.00 H new ATOM 0 HE3 TRP C 14 -9.444 4.631 -6.294 1.00 0.00 H new ATOM 0 HZ2 TRP C 14 -11.729 8.730 -7.925 1.00 0.00 H new ATOM 0 HZ3 TRP C 14 -11.654 4.465 -7.426 1.00 0.00 H new ATOM 0 HH2 TRP C 14 -12.794 6.516 -8.239 1.00 0.00 H new ATOM 869 N THR C 15 -5.877 8.300 -7.632 1.00 0.00 N ATOM 870 CA THR C 15 -6.095 8.841 -8.976 1.00 0.00 C ATOM 871 C THR C 15 -4.804 8.789 -9.789 1.00 0.00 C ATOM 872 O THR C 15 -4.816 8.962 -11.010 1.00 0.00 O ATOM 873 CB THR C 15 -6.589 10.297 -8.881 1.00 0.00 C ATOM 874 OG1 THR C 15 -7.547 10.403 -7.834 1.00 0.00 O ATOM 875 CG2 THR C 15 -7.233 10.711 -10.206 1.00 0.00 C ATOM 0 H THR C 15 -5.710 9.004 -6.913 1.00 0.00 H new ATOM 0 HA THR C 15 -6.850 8.234 -9.476 1.00 0.00 H new ATOM 0 HB THR C 15 -5.744 10.953 -8.671 1.00 0.00 H new ATOM 0 HG1 THR C 15 -7.915 9.516 -7.636 1.00 0.00 H new ATOM 0 HG21 THR C 15 -7.581 11.741 -10.135 1.00 0.00 H new ATOM 0 HG22 THR C 15 -6.499 10.630 -11.008 1.00 0.00 H new ATOM 0 HG23 THR C 15 -8.078 10.056 -10.420 1.00 0.00 H new ATOM 883 N GLY C 16 -3.697 8.548 -9.106 1.00 0.00 N ATOM 884 CA GLY C 16 -2.403 8.471 -9.770 1.00 0.00 C ATOM 885 C GLY C 16 -2.314 7.228 -10.644 1.00 0.00 C ATOM 886 O GLY C 16 -1.808 7.281 -11.766 1.00 0.00 O ATOM 0 H GLY C 16 -3.666 8.403 -8.097 1.00 0.00 H new ATOM 0 HA2 GLY C 16 -2.249 9.361 -10.380 1.00 0.00 H new ATOM 0 HA3 GLY C 16 -1.608 8.454 -9.025 1.00 0.00 H new ATOM 890 N MET C 17 -2.802 6.110 -10.121 1.00 0.00 N ATOM 891 CA MET C 17 -2.767 4.855 -10.858 1.00 0.00 C ATOM 892 C MET C 17 -3.578 4.963 -12.149 1.00 0.00 C ATOM 893 O MET C 17 -3.151 4.487 -13.200 1.00 0.00 O ATOM 894 CB MET C 17 -3.328 3.723 -9.991 1.00 0.00 C ATOM 895 CG MET C 17 -3.185 2.392 -10.731 1.00 0.00 C ATOM 896 SD MET C 17 -3.672 1.029 -9.632 1.00 0.00 S ATOM 897 CE MET C 17 -5.454 1.376 -9.593 1.00 0.00 C ATOM 0 H MET C 17 -3.224 6.047 -9.195 1.00 0.00 H new ATOM 0 HA MET C 17 -1.730 4.637 -11.114 1.00 0.00 H new ATOM 0 HB2 MET C 17 -2.796 3.681 -9.041 1.00 0.00 H new ATOM 0 HB3 MET C 17 -4.377 3.912 -9.761 1.00 0.00 H new ATOM 0 HG2 MET C 17 -3.809 2.392 -11.625 1.00 0.00 H new ATOM 0 HG3 MET C 17 -2.155 2.256 -11.061 1.00 0.00 H new ATOM 0 HE1 MET C 17 -5.995 0.472 -9.312 1.00 0.00 H new ATOM 0 HE2 MET C 17 -5.656 2.161 -8.864 1.00 0.00 H new ATOM 0 HE3 MET C 17 -5.783 1.704 -10.579 1.00 0.00 H new ATOM 907 N ILE C 18 -4.744 5.587 -12.062 1.00 0.00 N ATOM 908 CA ILE C 18 -5.601 5.747 -13.233 1.00 0.00 C ATOM 909 C ILE C 18 -4.915 6.611 -14.287 1.00 0.00 C ATOM 910 O ILE C 18 -4.860 6.248 -15.464 1.00 0.00 O ATOM 911 CB ILE C 18 -6.926 6.389 -12.827 1.00 0.00 C ATOM 912 CG1 ILE C 18 -7.571 5.555 -11.704 1.00 0.00 C ATOM 913 CG2 ILE C 18 -7.869 6.429 -14.039 1.00 0.00 C ATOM 914 CD1 ILE C 18 -8.845 6.258 -11.189 1.00 0.00 C ATOM 0 H ILE C 18 -5.118 5.988 -11.202 1.00 0.00 H new ATOM 0 HA ILE C 18 -5.791 4.761 -13.657 1.00 0.00 H new ATOM 0 HB ILE C 18 -6.747 7.404 -12.474 1.00 0.00 H new ATOM 0 HG12 ILE C 18 -7.819 4.561 -12.075 1.00 0.00 H new ATOM 0 HG13 ILE C 18 -6.863 5.422 -10.886 1.00 0.00 H new ATOM 0 HG21 ILE C 18 -8.815 6.887 -13.749 1.00 0.00 H new ATOM 0 HG22 ILE C 18 -7.412 7.014 -14.837 1.00 0.00 H new ATOM 0 HG23 ILE C 18 -8.051 5.414 -14.392 1.00 0.00 H new ATOM 0 HD11 ILE C 18 -9.294 5.661 -10.395 1.00 0.00 H new ATOM 0 HD12 ILE C 18 -8.585 7.243 -10.800 1.00 0.00 H new ATOM 0 HD13 ILE C 18 -9.556 6.367 -12.008 1.00 0.00 H new ATOM 926 N ASP C 19 -4.395 7.755 -13.855 1.00 0.00 N ATOM 927 CA ASP C 19 -3.716 8.669 -14.766 1.00 0.00 C ATOM 928 C ASP C 19 -2.572 7.961 -15.479 1.00 0.00 C ATOM 929 O ASP C 19 -2.397 8.106 -16.688 1.00 0.00 O ATOM 930 CB ASP C 19 -3.168 9.867 -13.990 1.00 0.00 C ATOM 931 CG ASP C 19 -2.478 10.835 -14.943 1.00 0.00 C ATOM 932 OD1 ASP C 19 -3.176 11.600 -15.588 1.00 0.00 O ATOM 933 OD2 ASP C 19 -1.261 10.798 -15.015 1.00 0.00 O ATOM 0 H ASP C 19 -4.430 8.070 -12.886 1.00 0.00 H new ATOM 0 HA ASP C 19 -4.436 9.014 -15.508 1.00 0.00 H new ATOM 0 HB2 ASP C 19 -3.979 10.374 -13.468 1.00 0.00 H new ATOM 0 HB3 ASP C 19 -2.464 9.527 -13.231 1.00 0.00 H new ATOM 938 N GLY C 20 -1.798 7.192 -14.722 1.00 0.00 N ATOM 939 CA GLY C 20 -0.674 6.464 -15.293 1.00 0.00 C ATOM 940 C GLY C 20 -1.154 5.400 -16.267 1.00 0.00 C ATOM 941 O GLY C 20 -0.478 5.098 -17.251 1.00 0.00 O ATOM 0 H GLY C 20 -1.927 7.058 -13.719 1.00 0.00 H new ATOM 0 HA2 GLY C 20 -0.009 7.159 -15.806 1.00 0.00 H new ATOM 0 HA3 GLY C 20 -0.095 5.998 -14.496 1.00 0.00 H new ATOM 945 N TRP C 21 -2.322 4.834 -15.993 1.00 0.00 N ATOM 946 CA TRP C 21 -2.878 3.802 -16.861 1.00 0.00 C ATOM 947 C TRP C 21 -3.072 4.348 -18.281 1.00 0.00 C ATOM 948 O TRP C 21 -2.571 3.777 -19.251 1.00 0.00 O ATOM 949 CB TRP C 21 -4.239 3.320 -16.297 1.00 0.00 C ATOM 950 CG TRP C 21 -4.447 1.873 -16.634 1.00 0.00 C ATOM 951 CD1 TRP C 21 -4.043 1.272 -17.777 1.00 0.00 C ATOM 952 CD2 TRP C 21 -5.097 0.845 -15.841 1.00 0.00 C ATOM 953 NE1 TRP C 21 -4.406 -0.060 -17.732 1.00 0.00 N ATOM 954 CE2 TRP C 21 -5.060 -0.371 -16.557 1.00 0.00 C ATOM 955 CE3 TRP C 21 -5.714 0.850 -14.574 1.00 0.00 C ATOM 956 CZ2 TRP C 21 -5.609 -1.538 -16.046 1.00 0.00 C ATOM 957 CZ3 TRP C 21 -6.271 -0.334 -14.053 1.00 0.00 C ATOM 958 CH2 TRP C 21 -6.216 -1.525 -14.793 1.00 0.00 C ATOM 0 H TRP C 21 -2.899 5.068 -15.185 1.00 0.00 H new ATOM 0 HA TRP C 21 -2.183 2.963 -16.898 1.00 0.00 H new ATOM 0 HB2 TRP C 21 -4.264 3.458 -15.216 1.00 0.00 H new ATOM 0 HB3 TRP C 21 -5.048 3.920 -16.714 1.00 0.00 H new ATOM 0 HD1 TRP C 21 -3.522 1.755 -18.591 1.00 0.00 H new ATOM 0 HE1 TRP C 21 -4.214 -0.731 -18.476 1.00 0.00 H new ATOM 0 HE3 TRP C 21 -5.760 1.764 -14.001 1.00 0.00 H new ATOM 0 HZ2 TRP C 21 -5.566 -2.453 -16.618 1.00 0.00 H new ATOM 0 HZ3 TRP C 21 -6.742 -0.325 -13.081 1.00 0.00 H new ATOM 0 HH2 TRP C 21 -6.644 -2.431 -14.391 1.00 0.00 H new ATOM 969 N TYR C 22 -3.793 5.459 -18.388 1.00 0.00 N ATOM 970 CA TYR C 22 -4.042 6.075 -19.687 1.00 0.00 C ATOM 971 C TYR C 22 -2.742 6.605 -20.283 1.00 0.00 C ATOM 972 O TYR C 22 -2.544 6.563 -21.497 1.00 0.00 O ATOM 973 CB TYR C 22 -5.049 7.222 -19.539 1.00 0.00 C ATOM 974 CG TYR C 22 -6.425 6.649 -19.252 1.00 0.00 C ATOM 975 CD1 TYR C 22 -7.150 6.026 -20.276 1.00 0.00 C ATOM 976 CD2 TYR C 22 -6.973 6.743 -17.964 1.00 0.00 C ATOM 977 CE1 TYR C 22 -8.418 5.497 -20.014 1.00 0.00 C ATOM 978 CE2 TYR C 22 -8.243 6.212 -17.705 1.00 0.00 C ATOM 979 CZ TYR C 22 -8.965 5.590 -18.729 1.00 0.00 C ATOM 980 OH TYR C 22 -10.216 5.068 -18.471 1.00 0.00 O ATOM 0 H TYR C 22 -4.213 5.949 -17.598 1.00 0.00 H new ATOM 0 HA TYR C 22 -4.453 5.319 -20.356 1.00 0.00 H new ATOM 0 HB2 TYR C 22 -4.744 7.887 -18.731 1.00 0.00 H new ATOM 0 HB3 TYR C 22 -5.074 7.819 -20.451 1.00 0.00 H new ATOM 0 HD1 TYR C 22 -6.730 5.954 -21.268 1.00 0.00 H new ATOM 0 HD2 TYR C 22 -6.416 7.224 -17.173 1.00 0.00 H new ATOM 0 HE1 TYR C 22 -8.976 5.016 -20.804 1.00 0.00 H new ATOM 0 HE2 TYR C 22 -8.665 6.283 -16.714 1.00 0.00 H new ATOM 0 HH TYR C 22 -10.445 5.216 -17.530 1.00 0.00 H new ATOM 990 N GLY C 23 -1.860 7.102 -19.419 1.00 0.00 N ATOM 991 CA GLY C 23 -0.576 7.638 -19.872 1.00 0.00 C ATOM 992 C GLY C 23 0.466 6.532 -19.989 1.00 0.00 C ATOM 993 O GLY C 23 1.323 6.379 -19.119 1.00 0.00 O ATOM 0 H GLY C 23 -2.007 7.145 -18.411 1.00 0.00 H new ATOM 0 HA2 GLY C 23 -0.702 8.127 -20.838 1.00 0.00 H new ATOM 0 HA3 GLY C 23 -0.228 8.398 -19.173 1.00 0.00 H new ATOM 997 N SER C 24 0.385 5.761 -21.070 1.00 0.00 N ATOM 998 CA SER C 24 1.328 4.670 -21.289 1.00 0.00 C ATOM 999 C SER C 24 2.716 5.219 -21.606 1.00 0.00 C ATOM 1000 O SER C 24 3.684 4.543 -21.296 1.00 0.00 O ATOM 1001 CB SER C 24 0.850 3.794 -22.443 1.00 0.00 C ATOM 1002 OG SER C 24 1.682 2.640 -22.534 1.00 0.00 O ATOM 0 H SER C 24 -0.317 5.870 -21.802 1.00 0.00 H new ATOM 0 HA SER C 24 1.384 4.073 -20.379 1.00 0.00 H new ATOM 0 HB2 SER C 24 -0.187 3.497 -22.284 1.00 0.00 H new ATOM 0 HB3 SER C 24 0.882 4.354 -23.377 1.00 0.00 H new ATOM 0 HG SER C 24 1.377 2.074 -23.274 1.00 0.00 H new TER 1008 SER C 24