USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 379 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 Set 1.1: A 191 ASN : amide:sc= 1.31 K(o=2.4,f=-6.7!) USER MOD Set 1.2: A 198 THR OG1 : rot 129:sc= 1.09 USER MOD Set 2.1: A 184 SER OG : rot -27:sc= 0.145 USER MOD Set 2.2: A 186 GLN : amide:sc= -0.18 X(o=-0.035,f=0.11) USER MOD Single : A 179 MET CE :methyl 177:sc= -6.44! (180deg=-6.79!) USER MOD Single : A 181 LYS NZ :NH3+ 154:sc= -0.115 (180deg=-0.637) USER MOD Single : A 182 THR OG1 : rot 179:sc= -1.65! USER MOD Single : A 183 SER OG : rot 180:sc= 0 USER MOD Single : A 188 TYR OH : rot 180:sc= -1.45! USER MOD Single : A 192 HIS : no HD1:sc= -0.315 K(o=-0.31,f=-5.1!) USER MOD Single : A 195 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 196 THR OG1 : rot 180:sc= 0 USER MOD Single : A 197 THR OG1 : rot 180:sc= 0 USER MOD Single : A 200 GLN :FLIP amide:sc= -0.0613 F(o=-0.94,f=-0.061) USER MOD Single : A 204 LYS NZ :NH3+ -162:sc= 0.904 (180deg=0.273) USER MOD Single : B 206 SER OG : rot 180:sc= 0 USER MOD Single : B 211 TYR OH : rot 180:sc= -0.0531 USER MOD Single : B 212 SER OG : rot 180:sc= 0 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD Single : B 216 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 170 11.497 7.226 7.014 1.00 15.00 N ATOM 2 CA ASP A 170 11.346 7.397 5.548 1.00 15.00 C ATOM 3 C ASP A 170 11.923 6.210 4.785 1.00 15.00 C ATOM 4 O ASP A 170 11.564 5.968 3.637 1.00 15.00 O ATOM 5 CB ASP A 170 12.019 8.692 5.085 1.00 15.00 C ATOM 6 CG ASP A 170 11.356 9.924 5.665 1.00 15.00 C ATOM 7 OD1 ASP A 170 11.485 10.154 6.884 1.00 15.00 O1- ATOM 8 OD2 ASP A 170 10.689 10.658 4.914 1.00 15.00 O ATOM 0 HA ASP A 170 10.279 7.453 5.333 1.00 15.00 H new ATOM 0 HB2 ASP A 170 13.069 8.677 5.375 1.00 15.00 H new ATOM 0 HB3 ASP A 170 11.990 8.745 3.997 1.00 15.00 H new ATOM 15 N VAL A 171 12.852 5.493 5.407 1.00 15.00 N ATOM 16 CA VAL A 171 13.406 4.282 4.805 1.00 15.00 C ATOM 17 C VAL A 171 12.471 3.075 4.993 1.00 15.00 C ATOM 18 O VAL A 171 12.158 2.389 4.023 1.00 15.00 O ATOM 19 CB VAL A 171 14.809 3.949 5.363 1.00 15.00 C ATOM 20 CG1 VAL A 171 15.369 2.692 4.713 1.00 15.00 C ATOM 21 CG2 VAL A 171 15.756 5.121 5.152 1.00 15.00 C ATOM 0 H VAL A 171 13.237 5.726 6.323 1.00 15.00 H new ATOM 0 HA VAL A 171 13.501 4.486 3.738 1.00 15.00 H new ATOM 0 HB VAL A 171 14.713 3.765 6.433 1.00 15.00 H new ATOM 0 HG11 VAL A 171 16.356 2.480 5.123 1.00 15.00 H new ATOM 0 HG12 VAL A 171 14.704 1.852 4.914 1.00 15.00 H new ATOM 0 HG13 VAL A 171 15.448 2.843 3.636 1.00 15.00 H new ATOM 0 HG21 VAL A 171 16.739 4.871 5.550 1.00 15.00 H new ATOM 0 HG22 VAL A 171 15.840 5.334 4.086 1.00 15.00 H new ATOM 0 HG23 VAL A 171 15.368 5.999 5.668 1.00 15.00 H new ATOM 31 N PRO A 172 11.991 2.796 6.231 1.00 15.00 N ATOM 32 CA PRO A 172 11.072 1.680 6.479 1.00 15.00 C ATOM 33 C PRO A 172 9.707 1.895 5.834 1.00 15.00 C ATOM 34 O PRO A 172 8.947 0.944 5.637 1.00 15.00 O ATOM 35 CB PRO A 172 10.935 1.629 8.006 1.00 15.00 C ATOM 36 CG PRO A 172 12.050 2.464 8.531 1.00 15.00 C ATOM 37 CD PRO A 172 12.324 3.497 7.480 1.00 15.00 C ATOM 0 HA PRO A 172 11.454 0.754 6.049 1.00 15.00 H new ATOM 0 HB2 PRO A 172 9.968 2.017 8.327 1.00 15.00 H new ATOM 0 HB3 PRO A 172 11.005 0.605 8.373 1.00 15.00 H new ATOM 0 HG2 PRO A 172 11.775 2.932 9.476 1.00 15.00 H new ATOM 0 HG3 PRO A 172 12.935 1.857 8.722 1.00 15.00 H new ATOM 0 HD2 PRO A 172 11.710 4.387 7.619 1.00 15.00 H new ATOM 0 HD3 PRO A 172 13.364 3.822 7.495 1.00 15.00 H new ATOM 45 N LEU A 173 9.388 3.151 5.546 1.00 15.00 N ATOM 46 CA LEU A 173 8.166 3.497 4.835 1.00 15.00 C ATOM 47 C LEU A 173 8.481 4.514 3.741 1.00 15.00 C ATOM 48 O LEU A 173 8.740 5.682 4.034 1.00 15.00 O ATOM 49 CB LEU A 173 7.107 4.072 5.787 1.00 15.00 C ATOM 50 CG LEU A 173 6.593 3.124 6.876 1.00 15.00 C ATOM 51 CD1 LEU A 173 5.570 3.834 7.747 1.00 15.00 C ATOM 52 CD2 LEU A 173 5.977 1.873 6.265 1.00 15.00 C ATOM 0 H LEU A 173 9.966 3.953 5.797 1.00 15.00 H new ATOM 0 HA LEU A 173 7.762 2.587 4.391 1.00 15.00 H new ATOM 0 HB2 LEU A 173 7.524 4.956 6.270 1.00 15.00 H new ATOM 0 HB3 LEU A 173 6.256 4.405 5.193 1.00 15.00 H new ATOM 0 HG LEU A 173 7.441 2.822 7.491 1.00 15.00 H new ATOM 0 HD11 LEU A 173 5.211 3.151 8.517 1.00 15.00 H new ATOM 0 HD12 LEU A 173 6.032 4.702 8.218 1.00 15.00 H new ATOM 0 HD13 LEU A 173 4.731 4.159 7.132 1.00 15.00 H new ATOM 0 HD21 LEU A 173 5.620 1.218 7.060 1.00 15.00 H new ATOM 0 HD22 LEU A 173 5.141 2.155 5.624 1.00 15.00 H new ATOM 0 HD23 LEU A 173 6.728 1.350 5.673 1.00 15.00 H new ATOM 64 N PRO A 174 8.522 4.061 2.478 1.00 15.00 N ATOM 65 CA PRO A 174 8.820 4.918 1.321 1.00 15.00 C ATOM 66 C PRO A 174 7.867 6.105 1.199 1.00 15.00 C ATOM 67 O PRO A 174 6.698 6.027 1.582 1.00 15.00 O ATOM 68 CB PRO A 174 8.657 3.975 0.125 1.00 15.00 C ATOM 69 CG PRO A 174 8.854 2.613 0.684 1.00 15.00 C ATOM 70 CD PRO A 174 8.302 2.663 2.076 1.00 15.00 C ATOM 0 HA PRO A 174 9.811 5.365 1.399 1.00 15.00 H new ATOM 0 HB2 PRO A 174 7.671 4.078 -0.328 1.00 15.00 H new ATOM 0 HB3 PRO A 174 9.389 4.193 -0.653 1.00 15.00 H new ATOM 0 HG2 PRO A 174 8.336 1.865 0.084 1.00 15.00 H new ATOM 0 HG3 PRO A 174 9.910 2.341 0.691 1.00 15.00 H new ATOM 0 HD2 PRO A 174 7.245 2.400 2.099 1.00 15.00 H new ATOM 0 HD3 PRO A 174 8.818 1.968 2.738 1.00 15.00 H new ATOM 78 N ALA A 175 8.364 7.183 0.608 1.00 15.00 N ATOM 79 CA ALA A 175 7.594 8.410 0.477 1.00 15.00 C ATOM 80 C ALA A 175 6.793 8.414 -0.818 1.00 15.00 C ATOM 81 O ALA A 175 7.308 8.068 -1.886 1.00 15.00 O ATOM 82 CB ALA A 175 8.518 9.616 0.531 1.00 15.00 C ATOM 0 H ALA A 175 9.302 7.231 0.210 1.00 15.00 H new ATOM 0 HA ALA A 175 6.892 8.465 1.309 1.00 15.00 H new ATOM 0 HB1 ALA A 175 7.931 10.529 0.432 1.00 15.00 H new ATOM 0 HB2 ALA A 175 9.047 9.627 1.484 1.00 15.00 H new ATOM 0 HB3 ALA A 175 9.239 9.558 -0.284 1.00 15.00 H new ATOM 88 N GLY A 176 5.537 8.817 -0.710 1.00 15.00 N ATOM 89 CA GLY A 176 4.629 8.783 -1.840 1.00 15.00 C ATOM 90 C GLY A 176 3.893 7.463 -1.919 1.00 15.00 C ATOM 91 O GLY A 176 3.262 7.142 -2.931 1.00 15.00 O ATOM 0 H GLY A 176 5.124 9.172 0.153 1.00 15.00 H new ATOM 0 HA2 GLY A 176 3.910 9.598 -1.755 1.00 15.00 H new ATOM 0 HA3 GLY A 176 5.187 8.946 -2.762 1.00 15.00 H new ATOM 95 N TRP A 177 3.951 6.714 -0.827 1.00 15.00 N ATOM 96 CA TRP A 177 3.291 5.424 -0.734 1.00 15.00 C ATOM 97 C TRP A 177 2.316 5.432 0.437 1.00 15.00 C ATOM 98 O TRP A 177 2.562 6.077 1.458 1.00 15.00 O ATOM 99 CB TRP A 177 4.325 4.301 -0.548 1.00 15.00 C ATOM 100 CG TRP A 177 5.255 4.101 -1.713 1.00 15.00 C ATOM 101 CD1 TRP A 177 6.270 4.928 -2.100 1.00 15.00 C ATOM 102 CD2 TRP A 177 5.277 2.991 -2.626 1.00 15.00 C ATOM 103 NE1 TRP A 177 6.910 4.414 -3.200 1.00 15.00 N ATOM 104 CE2 TRP A 177 6.322 3.227 -3.542 1.00 15.00 C ATOM 105 CE3 TRP A 177 4.515 1.824 -2.765 1.00 15.00 C ATOM 106 CZ2 TRP A 177 6.623 2.342 -4.574 1.00 15.00 C ATOM 107 CZ3 TRP A 177 4.820 0.944 -3.791 1.00 15.00 C ATOM 108 CH2 TRP A 177 5.866 1.210 -4.683 1.00 15.00 C ATOM 0 H TRP A 177 4.456 6.985 0.017 1.00 15.00 H new ATOM 0 HA TRP A 177 2.745 5.241 -1.659 1.00 15.00 H new ATOM 0 HB2 TRP A 177 4.919 4.517 0.340 1.00 15.00 H new ATOM 0 HB3 TRP A 177 3.796 3.367 -0.359 1.00 15.00 H new ATOM 0 HD1 TRP A 177 6.532 5.854 -1.610 1.00 15.00 H new ATOM 0 HE1 TRP A 177 7.697 4.847 -3.684 1.00 15.00 H new ATOM 0 HE3 TRP A 177 3.704 1.614 -2.084 1.00 15.00 H new ATOM 0 HZ2 TRP A 177 7.428 2.544 -5.265 1.00 15.00 H new ATOM 0 HZ3 TRP A 177 4.242 0.039 -3.904 1.00 15.00 H new ATOM 0 HH2 TRP A 177 6.079 0.506 -5.474 1.00 15.00 H new ATOM 119 N GLU A 178 1.207 4.727 0.281 1.00 15.00 N ATOM 120 CA GLU A 178 0.239 4.582 1.357 1.00 15.00 C ATOM 121 C GLU A 178 0.566 3.326 2.148 1.00 15.00 C ATOM 122 O GLU A 178 0.448 2.213 1.631 1.00 15.00 O ATOM 123 CB GLU A 178 -1.182 4.496 0.800 1.00 15.00 C ATOM 124 CG GLU A 178 -2.265 4.627 1.857 1.00 15.00 C ATOM 125 CD GLU A 178 -2.217 5.965 2.562 1.00 15.00 C ATOM 126 OE1 GLU A 178 -2.704 6.958 1.984 1.00 15.00 O1- ATOM 127 OE2 GLU A 178 -1.671 6.029 3.683 1.00 15.00 O ATOM 0 H GLU A 178 0.954 4.245 -0.582 1.00 15.00 H new ATOM 0 HA GLU A 178 0.294 5.455 2.008 1.00 15.00 H new ATOM 0 HB2 GLU A 178 -1.318 5.280 0.055 1.00 15.00 H new ATOM 0 HB3 GLU A 178 -1.303 3.543 0.285 1.00 15.00 H new ATOM 0 HG2 GLU A 178 -3.242 4.498 1.391 1.00 15.00 H new ATOM 0 HG3 GLU A 178 -2.154 3.828 2.590 1.00 15.00 H new ATOM 134 N MET A 179 0.993 3.504 3.387 1.00 15.00 N ATOM 135 CA MET A 179 1.479 2.393 4.190 1.00 15.00 C ATOM 136 C MET A 179 0.425 1.962 5.195 1.00 15.00 C ATOM 137 O MET A 179 0.193 2.651 6.191 1.00 15.00 O ATOM 138 CB MET A 179 2.761 2.783 4.941 1.00 15.00 C ATOM 139 CG MET A 179 3.665 3.747 4.182 1.00 15.00 C ATOM 140 SD MET A 179 4.146 3.139 2.555 1.00 15.00 S ATOM 141 CE MET A 179 5.209 1.772 2.993 1.00 15.00 C ATOM 0 H MET A 179 1.013 4.408 3.859 1.00 15.00 H new ATOM 0 HA MET A 179 1.697 1.565 3.515 1.00 15.00 H new ATOM 0 HB2 MET A 179 2.486 3.235 5.894 1.00 15.00 H new ATOM 0 HB3 MET A 179 3.324 1.878 5.168 1.00 15.00 H new ATOM 0 HG2 MET A 179 3.152 4.702 4.069 1.00 15.00 H new ATOM 0 HG3 MET A 179 4.562 3.935 4.772 1.00 15.00 H new ATOM 0 HE1 MET A 179 5.541 1.264 2.087 1.00 15.00 H new ATOM 0 HE2 MET A 179 6.076 2.145 3.538 1.00 15.00 H new ATOM 0 HE3 MET A 179 4.660 1.071 3.622 1.00 15.00 H new ATOM 151 N ALA A 180 -0.233 0.840 4.938 1.00 15.00 N ATOM 152 CA ALA A 180 -1.219 0.332 5.880 1.00 15.00 C ATOM 153 C ALA A 180 -1.292 -1.186 5.826 1.00 15.00 C ATOM 154 O ALA A 180 -1.393 -1.782 4.754 1.00 15.00 O ATOM 155 CB ALA A 180 -2.580 0.957 5.615 1.00 15.00 C ATOM 0 H ALA A 180 -0.105 0.273 4.100 1.00 15.00 H new ATOM 0 HA ALA A 180 -0.907 0.612 6.886 1.00 15.00 H new ATOM 0 HB1 ALA A 180 -3.305 0.566 6.329 1.00 15.00 H new ATOM 0 HB2 ALA A 180 -2.511 2.039 5.724 1.00 15.00 H new ATOM 0 HB3 ALA A 180 -2.901 0.714 4.602 1.00 15.00 H new ATOM 161 N LYS A 181 -1.230 -1.801 6.994 1.00 15.00 N ATOM 162 CA LYS A 181 -1.245 -3.249 7.099 1.00 15.00 C ATOM 163 C LYS A 181 -2.446 -3.688 7.921 1.00 15.00 C ATOM 164 O LYS A 181 -2.730 -3.114 8.973 1.00 15.00 O ATOM 165 CB LYS A 181 0.040 -3.741 7.769 1.00 15.00 C ATOM 166 CG LYS A 181 1.297 -3.026 7.299 1.00 15.00 C ATOM 167 CD LYS A 181 2.535 -3.584 7.980 1.00 15.00 C ATOM 168 CE LYS A 181 3.688 -2.597 7.927 1.00 15.00 C ATOM 169 NZ LYS A 181 3.383 -1.358 8.692 1.00 15.00 N1+ ATOM 0 H LYS A 181 -1.168 -1.316 7.889 1.00 15.00 H new ATOM 0 HA LYS A 181 -1.311 -3.676 6.098 1.00 15.00 H new ATOM 0 HB2 LYS A 181 -0.054 -3.616 8.848 1.00 15.00 H new ATOM 0 HB3 LYS A 181 0.150 -4.809 7.580 1.00 15.00 H new ATOM 0 HG2 LYS A 181 1.395 -3.130 6.218 1.00 15.00 H new ATOM 0 HG3 LYS A 181 1.212 -1.960 7.510 1.00 15.00 H new ATOM 0 HD2 LYS A 181 2.305 -3.822 9.019 1.00 15.00 H new ATOM 0 HD3 LYS A 181 2.829 -4.516 7.497 1.00 15.00 H new ATOM 0 HE2 LYS A 181 4.586 -3.064 8.332 1.00 15.00 H new ATOM 0 HE3 LYS A 181 3.902 -2.341 6.889 1.00 15.00 H new ATOM 0 HZ1 LYS A 181 4.270 -0.920 9.012 1.00 15.00 H new ATOM 0 HZ2 LYS A 181 2.868 -0.691 8.082 1.00 15.00 H new ATOM 0 HZ3 LYS A 181 2.797 -1.595 9.518 1.00 15.00 H new ATOM 183 N THR A 182 -3.134 -4.715 7.463 1.00 15.00 N ATOM 184 CA THR A 182 -4.289 -5.218 8.180 1.00 15.00 C ATOM 185 C THR A 182 -3.849 -6.292 9.170 1.00 15.00 C ATOM 186 O THR A 182 -2.919 -7.060 8.888 1.00 15.00 O ATOM 187 CB THR A 182 -5.336 -5.820 7.213 1.00 15.00 C ATOM 188 OG1 THR A 182 -4.840 -7.035 6.648 1.00 15.00 O ATOM 189 CG2 THR A 182 -5.670 -4.855 6.083 1.00 15.00 C ATOM 0 H THR A 182 -2.915 -5.216 6.602 1.00 15.00 H new ATOM 0 HA THR A 182 -4.747 -4.381 8.708 1.00 15.00 H new ATOM 0 HB THR A 182 -6.241 -6.014 7.789 1.00 15.00 H new ATOM 0 HG1 THR A 182 -5.516 -7.418 6.051 1.00 15.00 H new ATOM 0 HG21 THR A 182 -6.408 -5.310 5.423 1.00 15.00 H new ATOM 0 HG22 THR A 182 -6.075 -3.933 6.500 1.00 15.00 H new ATOM 0 HG23 THR A 182 -4.766 -4.631 5.517 1.00 15.00 H new ATOM 197 N SER A 183 -4.501 -6.337 10.331 1.00 15.00 N ATOM 198 CA SER A 183 -4.242 -7.377 11.324 1.00 15.00 C ATOM 199 C SER A 183 -4.603 -8.751 10.767 1.00 15.00 C ATOM 200 O SER A 183 -4.175 -9.780 11.292 1.00 15.00 O ATOM 201 CB SER A 183 -5.025 -7.106 12.610 1.00 15.00 C ATOM 202 OG SER A 183 -4.163 -6.697 13.663 1.00 15.00 O ATOM 0 H SER A 183 -5.215 -5.663 10.607 1.00 15.00 H new ATOM 0 HA SER A 183 -3.178 -7.364 11.559 1.00 15.00 H new ATOM 0 HB2 SER A 183 -5.772 -6.333 12.428 1.00 15.00 H new ATOM 0 HB3 SER A 183 -5.564 -8.006 12.907 1.00 15.00 H new ATOM 0 HG SER A 183 -4.691 -6.529 14.471 1.00 15.00 H new ATOM 208 N SER A 184 -5.404 -8.750 9.707 1.00 15.00 N ATOM 209 CA SER A 184 -5.723 -9.956 8.959 1.00 15.00 C ATOM 210 C SER A 184 -4.463 -10.542 8.315 1.00 15.00 C ATOM 211 O SER A 184 -4.462 -11.681 7.852 1.00 15.00 O ATOM 212 CB SER A 184 -6.782 -9.653 7.893 1.00 15.00 C ATOM 213 OG SER A 184 -7.157 -10.818 7.180 1.00 15.00 O ATOM 0 H SER A 184 -5.851 -7.909 9.343 1.00 15.00 H new ATOM 0 HA SER A 184 -6.126 -10.696 9.650 1.00 15.00 H new ATOM 0 HB2 SER A 184 -7.662 -9.218 8.367 1.00 15.00 H new ATOM 0 HB3 SER A 184 -6.395 -8.909 7.197 1.00 15.00 H new ATOM 0 HG SER A 184 -6.416 -11.459 7.188 1.00 15.00 H new ATOM 219 N GLY A 185 -3.405 -9.742 8.273 1.00 15.00 N ATOM 220 CA GLY A 185 -2.170 -10.167 7.651 1.00 15.00 C ATOM 221 C GLY A 185 -2.118 -9.807 6.183 1.00 15.00 C ATOM 222 O GLY A 185 -1.701 -10.609 5.347 1.00 15.00 O ATOM 0 H GLY A 185 -3.383 -8.800 8.662 1.00 15.00 H new ATOM 0 HA2 GLY A 185 -1.328 -9.706 8.167 1.00 15.00 H new ATOM 0 HA3 GLY A 185 -2.061 -11.246 7.763 1.00 15.00 H new ATOM 226 N GLN A 186 -2.551 -8.594 5.872 1.00 15.00 N ATOM 227 CA GLN A 186 -2.456 -8.068 4.520 1.00 15.00 C ATOM 228 C GLN A 186 -1.701 -6.750 4.530 1.00 15.00 C ATOM 229 O GLN A 186 -2.204 -5.743 5.027 1.00 15.00 O ATOM 230 CB GLN A 186 -3.843 -7.864 3.904 1.00 15.00 C ATOM 231 CG GLN A 186 -4.584 -9.161 3.625 1.00 15.00 C ATOM 232 CD GLN A 186 -6.036 -8.931 3.257 1.00 15.00 C ATOM 233 OE1 GLN A 186 -6.367 -8.732 2.089 1.00 15.00 O ATOM 234 NE2 GLN A 186 -6.915 -8.973 4.246 1.00 15.00 N ATOM 0 H GLN A 186 -2.974 -7.953 6.543 1.00 15.00 H new ATOM 0 HA GLN A 186 -1.917 -8.795 3.912 1.00 15.00 H new ATOM 0 HB2 GLN A 186 -4.443 -7.251 4.576 1.00 15.00 H new ATOM 0 HB3 GLN A 186 -3.739 -7.308 2.972 1.00 15.00 H new ATOM 0 HG2 GLN A 186 -4.087 -9.693 2.814 1.00 15.00 H new ATOM 0 HG3 GLN A 186 -4.533 -9.802 4.505 1.00 15.00 H new ATOM 0 HE21 GLN A 186 -6.600 -9.141 5.202 1.00 15.00 H new ATOM 0 HE22 GLN A 186 -7.907 -8.838 4.052 1.00 15.00 H new ATOM 243 N ARG A 187 -0.486 -6.771 4.016 1.00 15.00 N ATOM 244 CA ARG A 187 0.333 -5.572 3.941 1.00 15.00 C ATOM 245 C ARG A 187 0.269 -4.978 2.532 1.00 15.00 C ATOM 246 O ARG A 187 0.854 -5.522 1.596 1.00 15.00 O ATOM 247 CB ARG A 187 1.783 -5.889 4.339 1.00 15.00 C ATOM 248 CG ARG A 187 2.373 -7.091 3.617 1.00 15.00 C ATOM 249 CD ARG A 187 3.696 -7.526 4.230 1.00 15.00 C ATOM 250 NE ARG A 187 4.767 -6.547 4.029 1.00 15.00 N ATOM 251 CZ ARG A 187 5.793 -6.392 4.869 1.00 15.00 C ATOM 252 NH1 ARG A 187 5.826 -7.061 6.015 1.00 15.00 N1+ ATOM 253 NH2 ARG A 187 6.782 -5.558 4.580 1.00 15.00 N ATOM 0 H ARG A 187 -0.041 -7.609 3.642 1.00 15.00 H new ATOM 0 HA ARG A 187 -0.056 -4.833 4.642 1.00 15.00 H new ATOM 0 HB2 ARG A 187 2.404 -5.016 4.137 1.00 15.00 H new ATOM 0 HB3 ARG A 187 1.824 -6.067 5.414 1.00 15.00 H new ATOM 0 HG2 ARG A 187 1.666 -7.920 3.653 1.00 15.00 H new ATOM 0 HG3 ARG A 187 2.523 -6.846 2.566 1.00 15.00 H new ATOM 0 HD2 ARG A 187 3.558 -7.692 5.298 1.00 15.00 H new ATOM 0 HD3 ARG A 187 3.996 -8.479 3.795 1.00 15.00 H new ATOM 0 HE ARG A 187 4.727 -5.951 3.202 1.00 15.00 H new ATOM 0 HH11 ARG A 187 5.066 -7.696 6.257 1.00 15.00 H new ATOM 0 HH12 ARG A 187 6.612 -6.940 6.654 1.00 15.00 H new ATOM 0 HH21 ARG A 187 6.764 -5.027 3.709 1.00 15.00 H new ATOM 0 HH22 ARG A 187 7.561 -5.447 5.229 1.00 15.00 H new ATOM 267 N TYR A 188 -0.479 -3.892 2.368 1.00 15.00 N ATOM 268 CA TYR A 188 -0.620 -3.273 1.065 1.00 15.00 C ATOM 269 C TYR A 188 0.022 -1.892 1.070 1.00 15.00 C ATOM 270 O TYR A 188 0.003 -1.172 2.083 1.00 15.00 O ATOM 271 CB TYR A 188 -2.105 -3.192 0.657 1.00 15.00 C ATOM 272 CG TYR A 188 -2.971 -2.406 1.616 1.00 15.00 C ATOM 273 CD1 TYR A 188 -2.929 -1.019 1.650 1.00 15.00 C ATOM 274 CD2 TYR A 188 -3.819 -3.058 2.497 1.00 15.00 C ATOM 275 CE1 TYR A 188 -3.697 -0.305 2.541 1.00 15.00 C ATOM 276 CE2 TYR A 188 -4.601 -2.348 3.392 1.00 15.00 C ATOM 277 CZ TYR A 188 -4.530 -0.974 3.415 1.00 15.00 C ATOM 278 OH TYR A 188 -5.296 -0.272 4.317 1.00 15.00 O ATOM 0 H TYR A 188 -0.992 -3.429 3.118 1.00 15.00 H new ATOM 0 HA TYR A 188 -0.106 -3.889 0.327 1.00 15.00 H new ATOM 0 HB2 TYR A 188 -2.174 -2.739 -0.332 1.00 15.00 H new ATOM 0 HB3 TYR A 188 -2.502 -4.203 0.572 1.00 15.00 H new ATOM 0 HD1 TYR A 188 -2.282 -0.491 0.965 1.00 15.00 H new ATOM 0 HD2 TYR A 188 -3.871 -4.137 2.485 1.00 15.00 H new ATOM 0 HE1 TYR A 188 -3.648 0.774 2.556 1.00 15.00 H new ATOM 0 HE2 TYR A 188 -5.263 -2.869 4.068 1.00 15.00 H new ATOM 0 HH TYR A 188 -5.824 -0.898 4.855 1.00 15.00 H new ATOM 288 N PHE A 189 0.591 -1.534 -0.063 1.00 15.00 N ATOM 289 CA PHE A 189 1.206 -0.237 -0.239 1.00 15.00 C ATOM 290 C PHE A 189 0.634 0.427 -1.484 1.00 15.00 C ATOM 291 O PHE A 189 0.658 -0.145 -2.571 1.00 15.00 O ATOM 292 CB PHE A 189 2.725 -0.379 -0.368 1.00 15.00 C ATOM 293 CG PHE A 189 3.360 -1.203 0.723 1.00 15.00 C ATOM 294 CD1 PHE A 189 3.410 -0.733 2.024 1.00 15.00 C ATOM 295 CD2 PHE A 189 3.907 -2.445 0.445 1.00 15.00 C ATOM 296 CE1 PHE A 189 3.991 -1.484 3.029 1.00 15.00 C ATOM 297 CE2 PHE A 189 4.488 -3.201 1.446 1.00 15.00 C ATOM 298 CZ PHE A 189 4.532 -2.719 2.738 1.00 15.00 C ATOM 0 H PHE A 189 0.639 -2.134 -0.886 1.00 15.00 H new ATOM 0 HA PHE A 189 0.992 0.381 0.633 1.00 15.00 H new ATOM 0 HB2 PHE A 189 2.956 -0.832 -1.332 1.00 15.00 H new ATOM 0 HB3 PHE A 189 3.174 0.614 -0.366 1.00 15.00 H new ATOM 0 HD1 PHE A 189 2.989 0.234 2.257 1.00 15.00 H new ATOM 0 HD2 PHE A 189 3.879 -2.827 -0.565 1.00 15.00 H new ATOM 0 HE1 PHE A 189 4.021 -1.104 4.040 1.00 15.00 H new ATOM 0 HE2 PHE A 189 4.908 -4.169 1.217 1.00 15.00 H new ATOM 0 HZ PHE A 189 4.989 -3.307 3.520 1.00 15.00 H new ATOM 308 N LEU A 190 0.100 1.621 -1.323 1.00 15.00 N ATOM 309 CA LEU A 190 -0.443 2.367 -2.451 1.00 15.00 C ATOM 310 C LEU A 190 0.623 3.238 -3.088 1.00 15.00 C ATOM 311 O LEU A 190 1.376 3.897 -2.383 1.00 15.00 O ATOM 312 CB LEU A 190 -1.549 3.316 -2.007 1.00 15.00 C ATOM 313 CG LEU A 190 -2.985 2.811 -1.994 1.00 15.00 C ATOM 314 CD1 LEU A 190 -3.878 3.913 -2.540 1.00 15.00 C ATOM 315 CD2 LEU A 190 -3.148 1.522 -2.790 1.00 15.00 C ATOM 0 H LEU A 190 0.028 2.099 -0.425 1.00 15.00 H new ATOM 0 HA LEU A 190 -0.822 1.623 -3.152 1.00 15.00 H new ATOM 0 HB2 LEU A 190 -1.309 3.655 -0.999 1.00 15.00 H new ATOM 0 HB3 LEU A 190 -1.513 4.192 -2.655 1.00 15.00 H new ATOM 0 HG LEU A 190 -3.271 2.569 -0.971 1.00 15.00 H new ATOM 0 HD11 LEU A 190 -4.914 3.575 -2.541 1.00 15.00 H new ATOM 0 HD12 LEU A 190 -3.786 4.800 -1.913 1.00 15.00 H new ATOM 0 HD13 LEU A 190 -3.575 4.156 -3.558 1.00 15.00 H new ATOM 0 HD21 LEU A 190 -4.189 1.200 -2.752 1.00 15.00 H new ATOM 0 HD22 LEU A 190 -2.859 1.696 -3.827 1.00 15.00 H new ATOM 0 HD23 LEU A 190 -2.513 0.747 -2.361 1.00 15.00 H new ATOM 327 N ASN A 191 0.659 3.299 -4.406 1.00 15.00 N ATOM 328 CA ASN A 191 1.420 4.341 -5.054 1.00 15.00 C ATOM 329 C ASN A 191 0.501 5.526 -5.265 1.00 15.00 C ATOM 330 O ASN A 191 -0.307 5.519 -6.193 1.00 15.00 O ATOM 331 CB ASN A 191 1.998 3.911 -6.406 1.00 15.00 C ATOM 332 CG ASN A 191 2.868 2.671 -6.339 1.00 15.00 C ATOM 333 OD1 ASN A 191 2.608 1.751 -5.571 1.00 15.00 O ATOM 334 ND2 ASN A 191 3.917 2.643 -7.146 1.00 15.00 N ATOM 0 H ASN A 191 0.181 2.653 -5.034 1.00 15.00 H new ATOM 0 HA ASN A 191 2.266 4.587 -4.413 1.00 15.00 H new ATOM 0 HB2 ASN A 191 1.177 3.729 -7.099 1.00 15.00 H new ATOM 0 HB3 ASN A 191 2.585 4.733 -6.816 1.00 15.00 H new ATOM 0 HD21 ASN A 191 4.542 1.837 -7.143 1.00 15.00 H new ATOM 0 HD22 ASN A 191 4.101 3.428 -7.771 1.00 15.00 H new ATOM 341 N HIS A 192 0.587 6.518 -4.376 1.00 15.00 N ATOM 342 CA HIS A 192 -0.245 7.718 -4.487 1.00 15.00 C ATOM 343 C HIS A 192 0.207 8.560 -5.676 1.00 15.00 C ATOM 344 O HIS A 192 -0.448 9.527 -6.058 1.00 15.00 O ATOM 345 CB HIS A 192 -0.183 8.572 -3.211 1.00 15.00 C ATOM 346 CG HIS A 192 -1.281 8.303 -2.214 1.00 15.00 C ATOM 347 ND1 HIS A 192 -2.483 8.976 -2.218 1.00 15.00 N ATOM 348 CD2 HIS A 192 -1.334 7.465 -1.153 1.00 15.00 C ATOM 349 CE1 HIS A 192 -3.222 8.568 -1.206 1.00 15.00 C ATOM 350 NE2 HIS A 192 -2.553 7.653 -0.537 1.00 15.00 N ATOM 0 H HIS A 192 1.220 6.515 -3.576 1.00 15.00 H new ATOM 0 HA HIS A 192 -1.274 7.390 -4.631 1.00 15.00 H new ATOM 0 HB2 HIS A 192 0.778 8.404 -2.725 1.00 15.00 H new ATOM 0 HB3 HIS A 192 -0.218 9.624 -3.493 1.00 15.00 H new ATOM 0 HD2 HIS A 192 -0.562 6.775 -0.845 1.00 15.00 H new ATOM 0 HE1 HIS A 192 -4.212 8.925 -0.965 1.00 15.00 H new ATOM 0 HE2 HIS A 192 -2.881 7.165 0.297 1.00 15.00 H new ATOM 359 N ILE A 193 1.354 8.194 -6.234 1.00 15.00 N ATOM 360 CA ILE A 193 1.914 8.888 -7.382 1.00 15.00 C ATOM 361 C ILE A 193 1.553 8.168 -8.681 1.00 15.00 C ATOM 362 O ILE A 193 1.113 8.787 -9.648 1.00 15.00 O ATOM 363 CB ILE A 193 3.453 8.986 -7.263 1.00 15.00 C ATOM 364 CG1 ILE A 193 3.839 9.652 -5.937 1.00 15.00 C ATOM 365 CG2 ILE A 193 4.034 9.758 -8.439 1.00 15.00 C ATOM 366 CD1 ILE A 193 5.329 9.663 -5.666 1.00 15.00 C ATOM 0 H ILE A 193 1.919 7.411 -5.904 1.00 15.00 H new ATOM 0 HA ILE A 193 1.490 9.892 -7.401 1.00 15.00 H new ATOM 0 HB ILE A 193 3.868 7.978 -7.280 1.00 15.00 H new ATOM 0 HG12 ILE A 193 3.472 10.678 -5.937 1.00 15.00 H new ATOM 0 HG13 ILE A 193 3.335 9.134 -5.121 1.00 15.00 H new ATOM 0 HG21 ILE A 193 5.118 9.816 -8.337 1.00 15.00 H new ATOM 0 HG22 ILE A 193 3.784 9.247 -9.369 1.00 15.00 H new ATOM 0 HG23 ILE A 193 3.617 10.765 -8.455 1.00 15.00 H new ATOM 0 HD11 ILE A 193 5.521 10.151 -4.710 1.00 15.00 H new ATOM 0 HD12 ILE A 193 5.700 8.639 -5.632 1.00 15.00 H new ATOM 0 HD13 ILE A 193 5.839 10.208 -6.460 1.00 15.00 H new ATOM 378 N ASP A 194 1.727 6.851 -8.686 1.00 15.00 N ATOM 379 CA ASP A 194 1.513 6.051 -9.890 1.00 15.00 C ATOM 380 C ASP A 194 0.050 5.671 -10.057 1.00 15.00 C ATOM 381 O ASP A 194 -0.357 5.223 -11.130 1.00 15.00 O ATOM 382 CB ASP A 194 2.353 4.771 -9.855 1.00 15.00 C ATOM 383 CG ASP A 194 3.832 5.036 -9.689 1.00 15.00 C ATOM 384 OD1 ASP A 194 4.511 5.317 -10.698 1.00 15.00 O ATOM 385 OD2 ASP A 194 4.329 4.954 -8.544 1.00 15.00 O1- ATOM 0 H ASP A 194 2.016 6.313 -7.869 1.00 15.00 H new ATOM 0 HA ASP A 194 1.819 6.668 -10.735 1.00 15.00 H new ATOM 0 HB2 ASP A 194 2.009 4.140 -9.035 1.00 15.00 H new ATOM 0 HB3 ASP A 194 2.191 4.212 -10.777 1.00 15.00 H new ATOM 390 N GLN A 195 -0.728 5.831 -8.985 1.00 15.00 N ATOM 391 CA GLN A 195 -2.126 5.401 -8.960 1.00 15.00 C ATOM 392 C GLN A 195 -2.215 3.898 -9.191 1.00 15.00 C ATOM 393 O GLN A 195 -2.756 3.426 -10.192 1.00 15.00 O ATOM 394 CB GLN A 195 -2.959 6.166 -10.006 1.00 15.00 C ATOM 395 CG GLN A 195 -4.429 5.769 -10.036 1.00 15.00 C ATOM 396 CD GLN A 195 -5.203 6.416 -11.164 1.00 15.00 C ATOM 397 OE1 GLN A 195 -4.905 7.534 -11.588 1.00 15.00 O ATOM 398 NE2 GLN A 195 -6.204 5.710 -11.664 1.00 15.00 N ATOM 0 H GLN A 195 -0.409 6.259 -8.116 1.00 15.00 H new ATOM 0 HA GLN A 195 -2.539 5.628 -7.977 1.00 15.00 H new ATOM 0 HB2 GLN A 195 -2.886 7.234 -9.803 1.00 15.00 H new ATOM 0 HB3 GLN A 195 -2.527 5.998 -10.993 1.00 15.00 H new ATOM 0 HG2 GLN A 195 -4.503 4.686 -10.129 1.00 15.00 H new ATOM 0 HG3 GLN A 195 -4.890 6.040 -9.086 1.00 15.00 H new ATOM 0 HE21 GLN A 195 -6.418 4.788 -11.284 1.00 15.00 H new ATOM 0 HE22 GLN A 195 -6.762 6.088 -12.430 1.00 15.00 H new ATOM 407 N THR A 196 -1.629 3.143 -8.283 1.00 15.00 N ATOM 408 CA THR A 196 -1.725 1.701 -8.351 1.00 15.00 C ATOM 409 C THR A 196 -1.662 1.099 -6.957 1.00 15.00 C ATOM 410 O THR A 196 -1.066 1.674 -6.038 1.00 15.00 O ATOM 411 CB THR A 196 -0.640 1.081 -9.264 1.00 15.00 C ATOM 412 OG1 THR A 196 -1.047 -0.228 -9.683 1.00 15.00 O ATOM 413 CG2 THR A 196 0.703 0.978 -8.556 1.00 15.00 C ATOM 0 H THR A 196 -1.086 3.501 -7.497 1.00 15.00 H new ATOM 0 HA THR A 196 -2.690 1.462 -8.798 1.00 15.00 H new ATOM 0 HB THR A 196 -0.524 1.737 -10.127 1.00 15.00 H new ATOM 0 HG1 THR A 196 -0.358 -0.615 -10.262 1.00 15.00 H new ATOM 0 HG21 THR A 196 1.437 0.538 -9.231 1.00 15.00 H new ATOM 0 HG22 THR A 196 1.034 1.973 -8.258 1.00 15.00 H new ATOM 0 HG23 THR A 196 0.601 0.350 -7.671 1.00 15.00 H new ATOM 421 N THR A 197 -2.317 -0.034 -6.796 1.00 15.00 N ATOM 422 CA THR A 197 -2.348 -0.726 -5.528 1.00 15.00 C ATOM 423 C THR A 197 -1.335 -1.873 -5.520 1.00 15.00 C ATOM 424 O THR A 197 -1.442 -2.825 -6.296 1.00 15.00 O ATOM 425 CB THR A 197 -3.764 -1.245 -5.245 1.00 15.00 C ATOM 426 OG1 THR A 197 -4.709 -0.170 -5.379 1.00 15.00 O ATOM 427 CG2 THR A 197 -3.855 -1.833 -3.848 1.00 15.00 C ATOM 0 H THR A 197 -2.840 -0.497 -7.539 1.00 15.00 H new ATOM 0 HA THR A 197 -2.073 -0.027 -4.738 1.00 15.00 H new ATOM 0 HB THR A 197 -3.995 -2.029 -5.966 1.00 15.00 H new ATOM 0 HG1 THR A 197 -5.613 -0.504 -5.199 1.00 15.00 H new ATOM 0 HG21 THR A 197 -4.868 -2.194 -3.671 1.00 15.00 H new ATOM 0 HG22 THR A 197 -3.153 -2.662 -3.756 1.00 15.00 H new ATOM 0 HG23 THR A 197 -3.610 -1.066 -3.114 1.00 15.00 H new ATOM 435 N THR A 198 -0.354 -1.762 -4.643 1.00 15.00 N ATOM 436 CA THR A 198 0.777 -2.674 -4.616 1.00 15.00 C ATOM 437 C THR A 198 0.683 -3.655 -3.431 1.00 15.00 C ATOM 438 O THR A 198 0.599 -3.232 -2.281 1.00 15.00 O ATOM 439 CB THR A 198 2.074 -1.842 -4.517 1.00 15.00 C ATOM 440 OG1 THR A 198 2.135 -0.929 -5.622 1.00 15.00 O ATOM 441 CG2 THR A 198 3.314 -2.712 -4.524 1.00 15.00 C ATOM 0 H THR A 198 -0.318 -1.036 -3.928 1.00 15.00 H new ATOM 0 HA THR A 198 0.776 -3.268 -5.530 1.00 15.00 H new ATOM 0 HB THR A 198 2.050 -1.304 -3.570 1.00 15.00 H new ATOM 0 HG1 THR A 198 2.305 -0.023 -5.289 1.00 15.00 H new ATOM 0 HG21 THR A 198 4.201 -2.082 -4.453 1.00 15.00 H new ATOM 0 HG22 THR A 198 3.284 -3.395 -3.675 1.00 15.00 H new ATOM 0 HG23 THR A 198 3.350 -3.286 -5.450 1.00 15.00 H new ATOM 449 N TRP A 199 0.672 -4.961 -3.715 1.00 15.00 N ATOM 450 CA TRP A 199 0.688 -5.974 -2.654 1.00 15.00 C ATOM 451 C TRP A 199 2.111 -6.224 -2.150 1.00 15.00 C ATOM 452 O TRP A 199 2.312 -6.698 -1.032 1.00 15.00 O ATOM 453 CB TRP A 199 0.153 -7.323 -3.148 1.00 15.00 C ATOM 454 CG TRP A 199 -1.340 -7.522 -3.164 1.00 15.00 C ATOM 455 CD1 TRP A 199 -2.086 -7.896 -4.244 1.00 15.00 C ATOM 456 CD2 TRP A 199 -2.273 -7.388 -2.075 1.00 15.00 C ATOM 457 NE1 TRP A 199 -3.389 -8.078 -3.890 1.00 15.00 N ATOM 458 CE2 TRP A 199 -3.534 -7.769 -2.578 1.00 15.00 C ATOM 459 CE3 TRP A 199 -2.186 -7.008 -0.728 1.00 15.00 C ATOM 460 CZ2 TRP A 199 -4.669 -7.795 -1.798 1.00 15.00 C ATOM 461 CZ3 TRP A 199 -3.350 -7.008 0.031 1.00 15.00 C ATOM 462 CH2 TRP A 199 -4.571 -7.418 -0.530 1.00 15.00 C ATOM 0 H TRP A 199 0.652 -5.340 -4.662 1.00 15.00 H new ATOM 0 HA TRP A 199 0.055 -5.582 -1.858 1.00 15.00 H new ATOM 0 HB2 TRP A 199 0.523 -7.479 -4.161 1.00 15.00 H new ATOM 0 HB3 TRP A 199 0.589 -8.105 -2.526 1.00 15.00 H new ATOM 0 HD1 TRP A 199 -1.697 -8.029 -5.243 1.00 15.00 H new ATOM 0 HE1 TRP A 199 -4.134 -8.395 -4.511 1.00 15.00 H new ATOM 0 HE3 TRP A 199 -1.240 -6.723 -0.292 1.00 15.00 H new ATOM 0 HZ2 TRP A 199 -5.615 -8.114 -2.209 1.00 15.00 H new ATOM 0 HZ3 TRP A 199 -3.316 -6.690 1.062 1.00 15.00 H new ATOM 0 HH2 TRP A 199 -5.456 -7.426 0.089 1.00 15.00 H new ATOM 473 N GLN A 200 3.094 -5.948 -3.000 1.00 15.00 N ATOM 474 CA GLN A 200 4.471 -6.360 -2.736 1.00 15.00 C ATOM 475 C GLN A 200 5.316 -5.202 -2.226 1.00 15.00 C ATOM 476 O GLN A 200 5.232 -4.089 -2.732 1.00 15.00 O ATOM 477 CB GLN A 200 5.092 -6.944 -4.006 1.00 15.00 C ATOM 478 CG GLN A 200 4.363 -8.176 -4.522 1.00 15.00 C ATOM 479 CD GLN A 200 4.437 -9.355 -3.567 1.00 15.00 C ATOM 480 OE1 GLN A 200 5.560 -9.501 -2.878 1.00 15.00 O flip ATOM 481 NE2 GLN A 200 3.504 -10.149 -3.471 1.00 15.00 N flip ATOM 0 H GLN A 200 2.965 -5.442 -3.876 1.00 15.00 H new ATOM 0 HA GLN A 200 4.449 -7.122 -1.957 1.00 15.00 H new ATOM 0 HB2 GLN A 200 5.096 -6.181 -4.784 1.00 15.00 H new ATOM 0 HB3 GLN A 200 6.132 -7.203 -3.808 1.00 15.00 H new ATOM 0 HG2 GLN A 200 3.317 -7.925 -4.699 1.00 15.00 H new ATOM 0 HG3 GLN A 200 4.788 -8.467 -5.483 1.00 15.00 H new ATOM 0 HE21 GLN A 200 2.654 -10.006 -4.016 1.00 15.00 H new ATOM 0 HE22 GLN A 200 3.579 -10.951 -2.846 1.00 15.00 H new ATOM 490 N ASP A 201 6.159 -5.491 -1.245 1.00 15.00 N ATOM 491 CA ASP A 201 6.996 -4.476 -0.614 1.00 15.00 C ATOM 492 C ASP A 201 7.985 -3.871 -1.613 1.00 15.00 C ATOM 493 O ASP A 201 8.790 -4.579 -2.217 1.00 15.00 O ATOM 494 CB ASP A 201 7.751 -5.082 0.569 1.00 15.00 C ATOM 495 CG ASP A 201 8.273 -4.026 1.522 1.00 15.00 C ATOM 496 OD1 ASP A 201 9.135 -3.221 1.115 1.00 15.00 O1- ATOM 497 OD2 ASP A 201 7.812 -3.992 2.680 1.00 15.00 O ATOM 0 H ASP A 201 6.283 -6.429 -0.865 1.00 15.00 H new ATOM 0 HA ASP A 201 6.346 -3.677 -0.257 1.00 15.00 H new ATOM 0 HB2 ASP A 201 7.091 -5.761 1.109 1.00 15.00 H new ATOM 0 HB3 ASP A 201 8.585 -5.677 0.198 1.00 15.00 H new ATOM 502 N PRO A 202 7.919 -2.546 -1.802 1.00 15.00 N ATOM 503 CA PRO A 202 8.799 -1.818 -2.732 1.00 15.00 C ATOM 504 C PRO A 202 10.269 -1.781 -2.300 1.00 15.00 C ATOM 505 O PRO A 202 11.148 -1.462 -3.103 1.00 15.00 O ATOM 506 CB PRO A 202 8.223 -0.400 -2.728 1.00 15.00 C ATOM 507 CG PRO A 202 7.481 -0.288 -1.438 1.00 15.00 C ATOM 508 CD PRO A 202 6.945 -1.655 -1.151 1.00 15.00 C ATOM 0 HA PRO A 202 8.815 -2.304 -3.708 1.00 15.00 H new ATOM 0 HB2 PRO A 202 9.014 0.347 -2.795 1.00 15.00 H new ATOM 0 HB3 PRO A 202 7.561 -0.240 -3.579 1.00 15.00 H new ATOM 0 HG2 PRO A 202 8.139 0.049 -0.637 1.00 15.00 H new ATOM 0 HG3 PRO A 202 6.673 0.440 -1.514 1.00 15.00 H new ATOM 0 HD2 PRO A 202 6.880 -1.845 -0.080 1.00 15.00 H new ATOM 0 HD3 PRO A 202 5.943 -1.788 -1.559 1.00 15.00 H new ATOM 516 N ARG A 203 10.540 -2.097 -1.042 1.00 15.00 N ATOM 517 CA ARG A 203 11.898 -2.005 -0.511 1.00 15.00 C ATOM 518 C ARG A 203 12.697 -3.262 -0.835 1.00 15.00 C ATOM 519 O ARG A 203 13.919 -3.284 -0.704 1.00 15.00 O ATOM 520 CB ARG A 203 11.871 -1.763 0.993 1.00 15.00 C ATOM 521 CG ARG A 203 11.134 -0.494 1.383 1.00 15.00 C ATOM 522 CD ARG A 203 10.819 -0.481 2.864 1.00 15.00 C ATOM 523 NE ARG A 203 10.049 -1.659 3.251 1.00 15.00 N ATOM 524 CZ ARG A 203 10.107 -2.227 4.451 1.00 15.00 C ATOM 525 NH1 ARG A 203 10.909 -1.742 5.388 1.00 15.00 N1+ ATOM 526 NH2 ARG A 203 9.365 -3.292 4.710 1.00 15.00 N ATOM 0 H ARG A 203 9.843 -2.418 -0.370 1.00 15.00 H new ATOM 0 HA ARG A 203 12.390 -1.158 -0.989 1.00 15.00 H new ATOM 0 HB2 ARG A 203 11.399 -2.615 1.483 1.00 15.00 H new ATOM 0 HB3 ARG A 203 12.895 -1.709 1.364 1.00 15.00 H new ATOM 0 HG2 ARG A 203 11.741 0.375 1.129 1.00 15.00 H new ATOM 0 HG3 ARG A 203 10.210 -0.416 0.811 1.00 15.00 H new ATOM 0 HD2 ARG A 203 11.747 -0.446 3.435 1.00 15.00 H new ATOM 0 HD3 ARG A 203 10.258 0.420 3.111 1.00 15.00 H new ATOM 0 HE ARG A 203 9.427 -2.072 2.556 1.00 15.00 H new ATOM 0 HH11 ARG A 203 11.488 -0.926 5.191 1.00 15.00 H new ATOM 0 HH12 ARG A 203 10.947 -2.185 6.306 1.00 15.00 H new ATOM 0 HH21 ARG A 203 8.752 -3.674 3.990 1.00 15.00 H new ATOM 0 HH22 ARG A 203 9.407 -3.731 5.630 1.00 15.00 H new ATOM 540 N LYS A 204 11.991 -4.312 -1.237 1.00 15.00 N ATOM 541 CA LYS A 204 12.623 -5.574 -1.624 1.00 15.00 C ATOM 542 C LYS A 204 13.463 -5.385 -2.889 1.00 15.00 C ATOM 543 O LYS A 204 14.289 -6.237 -3.231 1.00 15.00 O ATOM 544 CB LYS A 204 11.553 -6.634 -1.907 1.00 15.00 C ATOM 545 CG LYS A 204 10.967 -6.500 -3.303 1.00 15.00 C ATOM 546 CD LYS A 204 9.720 -7.334 -3.511 1.00 15.00 C ATOM 547 CE LYS A 204 9.231 -7.210 -4.946 1.00 15.00 C ATOM 548 NZ LYS A 204 9.274 -5.798 -5.421 1.00 15.00 N1+ ATOM 0 H LYS A 204 10.973 -4.317 -1.305 1.00 15.00 H new ATOM 0 HA LYS A 204 13.262 -5.898 -0.802 1.00 15.00 H new ATOM 0 HB2 LYS A 204 11.988 -7.627 -1.791 1.00 15.00 H new ATOM 0 HB3 LYS A 204 10.755 -6.548 -1.170 1.00 15.00 H new ATOM 0 HG2 LYS A 204 10.731 -5.453 -3.492 1.00 15.00 H new ATOM 0 HG3 LYS A 204 11.719 -6.794 -4.035 1.00 15.00 H new ATOM 0 HD2 LYS A 204 9.931 -8.378 -3.281 1.00 15.00 H new ATOM 0 HD3 LYS A 204 8.938 -7.008 -2.825 1.00 15.00 H new ATOM 0 HE2 LYS A 204 9.847 -7.832 -5.596 1.00 15.00 H new ATOM 0 HE3 LYS A 204 8.211 -7.587 -5.017 1.00 15.00 H new ATOM 0 HZ1 LYS A 204 8.668 -5.695 -6.260 1.00 15.00 H new ATOM 0 HZ2 LYS A 204 8.932 -5.168 -4.668 1.00 15.00 H new ATOM 0 HZ3 LYS A 204 10.252 -5.544 -5.667 1.00 15.00 H new ATOM 562 N ALA A 205 13.219 -4.265 -3.575 1.00 15.00 N ATOM 563 CA ALA A 205 13.747 -4.016 -4.912 1.00 15.00 C ATOM 564 C ALA A 205 13.147 -5.015 -5.896 1.00 15.00 C ATOM 565 O ALA A 205 13.886 -5.882 -6.413 1.00 15.00 O ATOM 566 CB ALA A 205 15.272 -4.064 -4.930 1.00 15.00 C ATOM 567 OXT ALA A 205 11.918 -4.951 -6.124 1.00 15.00 O ATOM 0 H ALA A 205 12.646 -3.503 -3.213 1.00 15.00 H new ATOM 0 HA ALA A 205 13.460 -3.009 -5.217 1.00 15.00 H new ATOM 0 HB1 ALA A 205 15.630 -3.874 -5.942 1.00 15.00 H new ATOM 0 HB2 ALA A 205 15.668 -3.304 -4.256 1.00 15.00 H new ATOM 0 HB3 ALA A 205 15.609 -5.048 -4.605 1.00 15.00 H new TER 573 ALA A 205 ATOM 574 N GLY B 204 -2.671 -15.848 -4.444 1.00 15.00 N ATOM 575 CA GLY B 204 -3.965 -15.410 -5.021 1.00 15.00 C ATOM 576 C GLY B 204 -4.719 -14.542 -4.047 1.00 15.00 C ATOM 577 O GLY B 204 -5.462 -15.037 -3.198 1.00 15.00 O ATOM 0 HA2 GLY B 204 -3.788 -14.859 -5.945 1.00 15.00 H new ATOM 0 HA3 GLY B 204 -4.567 -16.281 -5.280 1.00 15.00 H new ATOM 583 N GLU B 205 -4.530 -13.241 -4.171 1.00 15.00 N ATOM 584 CA GLU B 205 -5.039 -12.302 -3.192 1.00 15.00 C ATOM 585 C GLU B 205 -6.439 -11.862 -3.574 1.00 15.00 C ATOM 586 O GLU B 205 -6.778 -11.788 -4.758 1.00 15.00 O ATOM 587 CB GLU B 205 -4.136 -11.066 -3.094 1.00 15.00 C ATOM 588 CG GLU B 205 -2.638 -11.358 -3.177 1.00 15.00 C ATOM 589 CD GLU B 205 -2.194 -12.527 -2.319 1.00 15.00 C ATOM 590 OE1 GLU B 205 -2.086 -12.358 -1.091 1.00 15.00 O ATOM 591 OE2 GLU B 205 -1.917 -13.613 -2.881 1.00 15.00 O1- ATOM 0 H GLU B 205 -4.025 -12.810 -4.945 1.00 15.00 H new ATOM 0 HA GLU B 205 -5.058 -12.804 -2.225 1.00 15.00 H new ATOM 0 HB2 GLU B 205 -4.402 -10.375 -3.894 1.00 15.00 H new ATOM 0 HB3 GLU B 205 -4.341 -10.557 -2.152 1.00 15.00 H new ATOM 0 HG2 GLU B 205 -2.374 -11.560 -4.215 1.00 15.00 H new ATOM 0 HG3 GLU B 205 -2.086 -10.468 -2.875 1.00 15.00 H new ATOM 598 N SER B 206 -7.230 -11.543 -2.572 1.00 15.00 N ATOM 599 CA SER B 206 -8.547 -10.992 -2.794 1.00 15.00 C ATOM 600 C SER B 206 -8.409 -9.476 -2.861 1.00 15.00 C ATOM 601 O SER B 206 -7.519 -8.917 -2.216 1.00 15.00 O ATOM 602 CB SER B 206 -9.479 -11.411 -1.653 1.00 15.00 C ATOM 603 OG SER B 206 -9.609 -12.823 -1.600 1.00 15.00 O ATOM 0 H SER B 206 -6.980 -11.657 -1.590 1.00 15.00 H new ATOM 0 HA SER B 206 -8.976 -11.362 -3.725 1.00 15.00 H new ATOM 0 HB2 SER B 206 -9.089 -11.042 -0.705 1.00 15.00 H new ATOM 0 HB3 SER B 206 -10.460 -10.956 -1.793 1.00 15.00 H new ATOM 0 HG SER B 206 -10.207 -13.069 -0.863 1.00 15.00 H new ATOM 609 N PRO B 207 -9.284 -8.794 -3.625 1.00 15.00 N ATOM 610 CA PRO B 207 -9.110 -7.378 -3.975 1.00 15.00 C ATOM 611 C PRO B 207 -8.784 -6.514 -2.765 1.00 15.00 C ATOM 612 O PRO B 207 -9.461 -6.584 -1.737 1.00 15.00 O ATOM 613 CB PRO B 207 -10.471 -6.976 -4.571 1.00 15.00 C ATOM 614 CG PRO B 207 -11.390 -8.122 -4.298 1.00 15.00 C ATOM 615 CD PRO B 207 -10.518 -9.337 -4.196 1.00 15.00 C ATOM 0 HA PRO B 207 -8.274 -7.235 -4.660 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -10.843 -6.059 -4.113 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -10.389 -6.787 -5.641 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -11.947 -7.963 -3.375 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -12.122 -8.234 -5.098 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -10.960 -10.101 -3.556 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -10.347 -9.797 -5.169 1.00 15.00 H new ATOM 623 N PRO B 208 -7.752 -5.669 -2.886 1.00 15.00 N ATOM 624 CA PRO B 208 -7.198 -4.865 -1.814 1.00 15.00 C ATOM 625 C PRO B 208 -7.931 -3.510 -1.785 1.00 15.00 C ATOM 626 O PRO B 208 -8.850 -3.293 -2.583 1.00 15.00 O ATOM 627 CB PRO B 208 -5.699 -4.738 -2.255 1.00 15.00 C ATOM 628 CG PRO B 208 -5.646 -5.406 -3.603 1.00 15.00 C ATOM 629 CD PRO B 208 -7.041 -5.299 -4.088 1.00 15.00 C ATOM 0 HA PRO B 208 -7.297 -5.273 -0.808 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -5.390 -3.694 -2.317 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -5.033 -5.226 -1.543 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -4.947 -4.906 -4.273 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -5.325 -6.445 -3.525 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -7.289 -4.293 -4.426 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -7.247 -5.974 -4.919 1.00 15.00 H new ATOM 637 N PRO B 209 -7.571 -2.604 -0.867 1.00 15.00 N ATOM 638 CA PRO B 209 -8.223 -1.291 -0.745 1.00 15.00 C ATOM 639 C PRO B 209 -8.369 -0.531 -2.063 1.00 15.00 C ATOM 640 O PRO B 209 -7.473 -0.550 -2.910 1.00 15.00 O ATOM 641 CB PRO B 209 -7.265 -0.495 0.123 1.00 15.00 C ATOM 642 CG PRO B 209 -6.386 -1.470 0.813 1.00 15.00 C ATOM 643 CD PRO B 209 -6.552 -2.812 0.163 1.00 15.00 C ATOM 0 HA PRO B 209 -9.234 -1.424 -0.359 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -6.676 0.192 -0.484 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -7.813 0.109 0.847 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.346 -1.148 0.755 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.643 -1.528 1.871 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -5.615 -3.160 -0.272 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -6.867 -3.565 0.885 1.00 15.00 H new ATOM 651 N PRO B 210 -9.505 0.170 -2.226 1.00 15.00 N ATOM 652 CA PRO B 210 -9.720 1.093 -3.344 1.00 15.00 C ATOM 653 C PRO B 210 -8.713 2.240 -3.313 1.00 15.00 C ATOM 654 O PRO B 210 -8.408 2.781 -2.251 1.00 15.00 O ATOM 655 CB PRO B 210 -11.142 1.620 -3.115 1.00 15.00 C ATOM 656 CG PRO B 210 -11.780 0.632 -2.205 1.00 15.00 C ATOM 657 CD PRO B 210 -10.676 0.109 -1.337 1.00 15.00 C ATOM 0 HA PRO B 210 -9.594 0.610 -4.313 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -11.127 2.614 -2.669 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -11.689 1.701 -4.055 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -12.561 1.099 -1.606 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -12.250 -0.174 -2.769 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.539 0.720 -0.445 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.875 -0.908 -0.999 1.00 15.00 H new ATOM 665 N TYR B 211 -8.229 2.622 -4.482 1.00 15.00 N ATOM 666 CA TYR B 211 -7.174 3.629 -4.596 1.00 15.00 C ATOM 667 C TYR B 211 -7.657 5.053 -4.284 1.00 15.00 C ATOM 668 O TYR B 211 -6.836 5.954 -4.113 1.00 15.00 O ATOM 669 CB TYR B 211 -6.524 3.596 -5.992 1.00 15.00 C ATOM 670 CG TYR B 211 -5.506 4.700 -6.192 1.00 15.00 C ATOM 671 CD1 TYR B 211 -4.230 4.597 -5.659 1.00 15.00 C ATOM 672 CD2 TYR B 211 -5.841 5.869 -6.869 1.00 15.00 C ATOM 673 CE1 TYR B 211 -3.316 5.621 -5.791 1.00 15.00 C ATOM 674 CE2 TYR B 211 -4.928 6.895 -7.011 1.00 15.00 C ATOM 675 CZ TYR B 211 -3.669 6.767 -6.467 1.00 15.00 C ATOM 676 OH TYR B 211 -2.758 7.786 -6.602 1.00 15.00 O ATOM 0 H TYR B 211 -8.549 2.250 -5.376 1.00 15.00 H new ATOM 0 HA TYR B 211 -6.433 3.366 -3.841 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -6.040 2.631 -6.140 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -7.301 3.682 -6.752 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -3.947 3.698 -5.131 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -6.830 5.975 -7.290 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -2.328 5.524 -5.366 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -5.200 7.793 -7.546 1.00 15.00 H new ATOM 0 HH TYR B 211 -3.163 8.523 -7.106 1.00 15.00 H new ATOM 686 N SER B 212 -8.961 5.257 -4.143 1.00 15.00 N ATOM 687 CA SER B 212 -9.536 6.589 -4.319 1.00 15.00 C ATOM 688 C SER B 212 -8.933 7.611 -3.346 1.00 15.00 C ATOM 689 O SER B 212 -8.204 8.502 -3.792 1.00 15.00 O ATOM 690 CB SER B 212 -11.052 6.516 -4.150 1.00 15.00 C ATOM 691 OG SER B 212 -11.605 5.525 -5.002 1.00 15.00 O ATOM 0 H SER B 212 -9.635 4.528 -3.910 1.00 15.00 H new ATOM 0 HA SER B 212 -9.296 6.930 -5.326 1.00 15.00 H new ATOM 0 HB2 SER B 212 -11.297 6.288 -3.113 1.00 15.00 H new ATOM 0 HB3 SER B 212 -11.495 7.486 -4.376 1.00 15.00 H new ATOM 0 HG SER B 212 -12.577 5.492 -4.878 1.00 15.00 H new ATOM 697 N ARG B 213 -9.212 7.536 -2.047 1.00 15.00 N ATOM 698 CA ARG B 213 -8.452 8.368 -1.119 1.00 15.00 C ATOM 699 C ARG B 213 -7.703 7.547 -0.076 1.00 15.00 C ATOM 700 O ARG B 213 -6.478 7.442 -0.121 1.00 15.00 O ATOM 701 CB ARG B 213 -9.363 9.386 -0.427 1.00 15.00 C ATOM 702 CG ARG B 213 -9.749 10.551 -1.320 1.00 15.00 C ATOM 703 CD ARG B 213 -8.512 11.286 -1.814 1.00 15.00 C ATOM 704 NE ARG B 213 -8.842 12.443 -2.644 1.00 15.00 N ATOM 705 CZ ARG B 213 -8.007 12.994 -3.524 1.00 15.00 C ATOM 706 NH1 ARG B 213 -6.815 12.455 -3.744 1.00 15.00 N1+ ATOM 707 NH2 ARG B 213 -8.365 14.077 -4.201 1.00 15.00 N ATOM 0 H ARG B 213 -9.924 6.938 -1.627 1.00 15.00 H new ATOM 0 HA ARG B 213 -7.708 8.897 -1.715 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -10.268 8.882 -0.088 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -8.860 9.769 0.461 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -10.326 10.188 -2.171 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -10.391 11.239 -0.770 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -7.922 11.614 -0.958 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -7.889 10.598 -2.386 1.00 15.00 H new ATOM 0 HE ARG B 213 -9.770 12.854 -2.543 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -6.534 11.615 -3.238 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -6.179 12.881 -4.419 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -9.284 14.493 -4.049 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -7.721 14.494 -4.873 1.00 15.00 H new ATOM 721 N TYR B 214 -8.444 6.957 0.851 1.00 15.00 N ATOM 722 CA TYR B 214 -7.851 6.167 1.921 1.00 15.00 C ATOM 723 C TYR B 214 -8.363 4.733 1.902 1.00 15.00 C ATOM 724 O TYR B 214 -9.564 4.503 1.752 1.00 15.00 O ATOM 725 CB TYR B 214 -8.103 6.835 3.275 1.00 15.00 C ATOM 726 CG TYR B 214 -7.069 7.891 3.613 1.00 15.00 C ATOM 727 CD1 TYR B 214 -6.788 8.931 2.732 1.00 15.00 C ATOM 728 CD2 TYR B 214 -6.359 7.836 4.804 1.00 15.00 C ATOM 729 CE1 TYR B 214 -5.830 9.883 3.029 1.00 15.00 C ATOM 730 CE2 TYR B 214 -5.403 8.787 5.111 1.00 15.00 C ATOM 731 CZ TYR B 214 -5.141 9.806 4.222 1.00 15.00 C ATOM 732 OH TYR B 214 -4.185 10.751 4.527 1.00 15.00 O ATOM 0 H TYR B 214 -9.462 7.011 0.884 1.00 15.00 H new ATOM 0 HA TYR B 214 -6.774 6.123 1.758 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -9.093 7.291 3.271 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -8.106 6.074 4.055 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -7.328 8.996 1.799 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -6.556 7.037 5.503 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -5.622 10.681 2.332 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -4.864 8.731 6.045 1.00 15.00 H new ATOM 0 HH TYR B 214 -3.796 10.551 5.404 1.00 15.00 H new ATOM 742 N PRO B 215 -7.465 3.753 2.077 1.00 15.00 N ATOM 743 CA PRO B 215 -7.829 2.330 2.089 1.00 15.00 C ATOM 744 C PRO B 215 -8.809 1.970 3.203 1.00 15.00 C ATOM 745 O PRO B 215 -9.983 1.695 2.947 1.00 15.00 O ATOM 746 CB PRO B 215 -6.490 1.622 2.319 1.00 15.00 C ATOM 747 CG PRO B 215 -5.462 2.601 1.892 1.00 15.00 C ATOM 748 CD PRO B 215 -6.016 3.948 2.250 1.00 15.00 C ATOM 0 HA PRO B 215 -8.336 2.044 1.168 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -6.363 1.347 3.366 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.425 0.702 1.738 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -4.514 2.420 2.398 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -5.271 2.527 0.821 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -5.764 4.232 3.272 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -5.631 4.732 1.597 1.00 15.00 H new ATOM 756 N MET B 216 -8.333 2.003 4.436 1.00 15.00 N ATOM 757 CA MET B 216 -9.160 1.647 5.581 1.00 15.00 C ATOM 758 C MET B 216 -9.666 2.904 6.271 1.00 15.00 C ATOM 759 O MET B 216 -8.881 3.789 6.615 1.00 15.00 O ATOM 760 CB MET B 216 -8.361 0.789 6.564 1.00 15.00 C ATOM 761 CG MET B 216 -9.184 0.274 7.734 1.00 15.00 C ATOM 762 SD MET B 216 -10.537 -0.797 7.213 1.00 15.00 S ATOM 763 CE MET B 216 -11.348 -1.104 8.782 1.00 15.00 C ATOM 0 H MET B 216 -7.378 2.273 4.672 1.00 15.00 H new ATOM 0 HA MET B 216 -10.016 1.070 5.230 1.00 15.00 H new ATOM 0 HB2 MET B 216 -7.935 -0.060 6.029 1.00 15.00 H new ATOM 0 HB3 MET B 216 -7.526 1.375 6.948 1.00 15.00 H new ATOM 0 HG2 MET B 216 -8.535 -0.274 8.417 1.00 15.00 H new ATOM 0 HG3 MET B 216 -9.589 1.120 8.289 1.00 15.00 H new ATOM 0 HE1 MET B 216 -12.209 -1.754 8.626 1.00 15.00 H new ATOM 0 HE2 MET B 216 -10.648 -1.586 9.465 1.00 15.00 H new ATOM 0 HE3 MET B 216 -11.681 -0.159 9.211 1.00 15.00 H new ATOM 773 N ASP B 217 -10.975 2.975 6.472 1.00 15.00 N ATOM 774 CA ASP B 217 -11.588 4.139 7.099 1.00 15.00 C ATOM 775 C ASP B 217 -11.749 3.914 8.596 1.00 15.00 C ATOM 776 O ASP B 217 -10.789 4.195 9.342 1.00 15.00 O ATOM 777 CB ASP B 217 -12.946 4.445 6.461 1.00 15.00 C ATOM 778 CG ASP B 217 -13.575 5.706 7.026 1.00 15.00 C ATOM 779 OD1 ASP B 217 -12.923 6.770 6.968 1.00 15.00 O ATOM 780 OD2 ASP B 217 -14.722 5.650 7.513 1.00 15.00 O1- ATOM 781 OXT ASP B 217 -12.823 3.451 9.023 1.00 15.00 O ATOM 0 H ASP B 217 -11.633 2.241 6.210 1.00 15.00 H new ATOM 0 HA ASP B 217 -10.932 4.995 6.942 1.00 15.00 H new ATOM 0 HB2 ASP B 217 -12.823 4.554 5.383 1.00 15.00 H new ATOM 0 HB3 ASP B 217 -13.619 3.602 6.621 1.00 15.00 H new TER 786 ASP B 217