USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=16 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= 0.689 K(o=0.63,f=-7.5!) USER MOD Set 1.2: A 196 THR OG1 : rot 180:sc= -0.53 USER MOD Set 1.3: A 198 THR OG1 : rot 124:sc= 0.469 USER MOD Set 2.1: A 182 THR OG1 : rot 176:sc= -1.17! USER MOD Set 2.2: A 186 GLN : amide:sc= 0.102 K(o=-1.1,f=-7.4!) USER MOD Single : A 179 MET CE :methyl 179:sc= -9.05! (180deg=-9.12!) USER MOD Single : A 181 LYS NZ :NH3+ 154:sc= -0.113 (180deg=-0.673) USER MOD Single : A 183 SER OG : rot -41:sc= 0.00564 USER MOD Single : A 184 SER OG : rot 180:sc= 0 USER MOD Single : A 188 TYR OH : rot 180:sc= -0.656 USER MOD Single : A 192 HIS : no HD1:sc= -3.27! C(o=-3.3!,f=-4.6!) USER MOD Single : A 195 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 197 THR OG1 : rot 180:sc= 0 USER MOD Single : A 200 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 204 LYS NZ :NH3+ 177:sc= -0.119 (180deg=-0.17) USER MOD Single : B 206 SER OG : rot 180:sc= 0 USER MOD Single : B 211 TYR OH : rot 180:sc= 0 USER MOD Single : B 212 SER OG : rot 180:sc= 0.0237 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD Single : B 216 MET CE :methyl -152:sc= -2.66! (180deg=-4.59!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 170 11.306 7.864 6.716 1.00 15.00 N ATOM 2 CA ASP A 170 11.385 7.827 5.236 1.00 15.00 C ATOM 3 C ASP A 170 11.957 6.501 4.752 1.00 15.00 C ATOM 4 O ASP A 170 11.632 6.041 3.662 1.00 15.00 O ATOM 5 CB ASP A 170 12.232 8.989 4.717 1.00 15.00 C ATOM 6 CG ASP A 170 11.634 10.331 5.080 1.00 15.00 C ATOM 7 OD1 ASP A 170 11.580 10.654 6.287 1.00 15.00 O1- ATOM 8 OD2 ASP A 170 11.196 11.059 4.168 1.00 15.00 O ATOM 0 HA ASP A 170 10.373 7.926 4.842 1.00 15.00 H new ATOM 0 HB2 ASP A 170 13.238 8.917 5.129 1.00 15.00 H new ATOM 0 HB3 ASP A 170 12.325 8.914 3.634 1.00 15.00 H new ATOM 15 N VAL A 171 12.833 5.905 5.552 1.00 15.00 N ATOM 16 CA VAL A 171 13.425 4.616 5.215 1.00 15.00 C ATOM 17 C VAL A 171 12.489 3.438 5.528 1.00 15.00 C ATOM 18 O VAL A 171 12.282 2.583 4.670 1.00 15.00 O ATOM 19 CB VAL A 171 14.785 4.415 5.921 1.00 15.00 C ATOM 20 CG1 VAL A 171 15.326 3.013 5.679 1.00 15.00 C ATOM 21 CG2 VAL A 171 15.783 5.455 5.439 1.00 15.00 C ATOM 0 H VAL A 171 13.150 6.294 6.440 1.00 15.00 H new ATOM 0 HA VAL A 171 13.588 4.631 4.137 1.00 15.00 H new ATOM 0 HB VAL A 171 14.633 4.538 6.993 1.00 15.00 H new ATOM 0 HG11 VAL A 171 16.284 2.900 6.187 1.00 15.00 H new ATOM 0 HG12 VAL A 171 14.620 2.279 6.067 1.00 15.00 H new ATOM 0 HG13 VAL A 171 15.462 2.855 4.609 1.00 15.00 H new ATOM 0 HG21 VAL A 171 16.738 5.304 5.943 1.00 15.00 H new ATOM 0 HG22 VAL A 171 15.921 5.355 4.362 1.00 15.00 H new ATOM 0 HG23 VAL A 171 15.407 6.453 5.666 1.00 15.00 H new ATOM 31 N PRO A 172 11.908 3.352 6.750 1.00 15.00 N ATOM 32 CA PRO A 172 11.025 2.230 7.116 1.00 15.00 C ATOM 33 C PRO A 172 9.749 2.166 6.274 1.00 15.00 C ATOM 34 O PRO A 172 9.087 1.129 6.215 1.00 15.00 O ATOM 35 CB PRO A 172 10.683 2.494 8.585 1.00 15.00 C ATOM 36 CG PRO A 172 10.933 3.948 8.782 1.00 15.00 C ATOM 37 CD PRO A 172 12.077 4.293 7.873 1.00 15.00 C ATOM 0 HA PRO A 172 11.517 1.273 6.943 1.00 15.00 H new ATOM 0 HB2 PRO A 172 9.646 2.239 8.801 1.00 15.00 H new ATOM 0 HB3 PRO A 172 11.304 1.893 9.249 1.00 15.00 H new ATOM 0 HG2 PRO A 172 10.047 4.534 8.536 1.00 15.00 H new ATOM 0 HG3 PRO A 172 11.180 4.165 9.821 1.00 15.00 H new ATOM 0 HD2 PRO A 172 12.029 5.330 7.541 1.00 15.00 H new ATOM 0 HD3 PRO A 172 13.039 4.161 8.368 1.00 15.00 H new ATOM 45 N LEU A 173 9.401 3.282 5.649 1.00 15.00 N ATOM 46 CA LEU A 173 8.234 3.358 4.776 1.00 15.00 C ATOM 47 C LEU A 173 8.530 4.295 3.603 1.00 15.00 C ATOM 48 O LEU A 173 8.790 5.480 3.826 1.00 15.00 O ATOM 49 CB LEU A 173 7.009 3.887 5.541 1.00 15.00 C ATOM 50 CG LEU A 173 6.507 3.030 6.709 1.00 15.00 C ATOM 51 CD1 LEU A 173 5.419 3.774 7.466 1.00 15.00 C ATOM 52 CD2 LEU A 173 5.970 1.691 6.220 1.00 15.00 C ATOM 0 H LEU A 173 9.916 4.158 5.731 1.00 15.00 H new ATOM 0 HA LEU A 173 8.016 2.354 4.411 1.00 15.00 H new ATOM 0 HB2 LEU A 173 7.249 4.879 5.924 1.00 15.00 H new ATOM 0 HB3 LEU A 173 6.191 4.009 4.831 1.00 15.00 H new ATOM 0 HG LEU A 173 7.349 2.837 7.374 1.00 15.00 H new ATOM 0 HD11 LEU A 173 5.067 3.159 8.294 1.00 15.00 H new ATOM 0 HD12 LEU A 173 5.821 4.710 7.854 1.00 15.00 H new ATOM 0 HD13 LEU A 173 4.588 3.987 6.793 1.00 15.00 H new ATOM 0 HD21 LEU A 173 5.622 1.106 7.071 1.00 15.00 H new ATOM 0 HD22 LEU A 173 5.141 1.860 5.533 1.00 15.00 H new ATOM 0 HD23 LEU A 173 6.762 1.147 5.706 1.00 15.00 H new ATOM 64 N PRO A 174 8.511 3.789 2.348 1.00 15.00 N ATOM 65 CA PRO A 174 8.774 4.614 1.161 1.00 15.00 C ATOM 66 C PRO A 174 7.850 5.831 1.079 1.00 15.00 C ATOM 67 O PRO A 174 6.676 5.761 1.450 1.00 15.00 O ATOM 68 CB PRO A 174 8.524 3.673 -0.029 1.00 15.00 C ATOM 69 CG PRO A 174 7.933 2.422 0.526 1.00 15.00 C ATOM 70 CD PRO A 174 8.246 2.383 1.994 1.00 15.00 C ATOM 0 HA PRO A 174 9.786 5.019 1.182 1.00 15.00 H new ATOM 0 HB2 PRO A 174 7.848 4.133 -0.750 1.00 15.00 H new ATOM 0 HB3 PRO A 174 9.454 3.460 -0.555 1.00 15.00 H new ATOM 0 HG2 PRO A 174 6.855 2.403 0.364 1.00 15.00 H new ATOM 0 HG3 PRO A 174 8.346 1.548 0.023 1.00 15.00 H new ATOM 0 HD2 PRO A 174 7.412 1.979 2.568 1.00 15.00 H new ATOM 0 HD3 PRO A 174 9.110 1.751 2.200 1.00 15.00 H new ATOM 78 N ALA A 175 8.381 6.936 0.568 1.00 15.00 N ATOM 79 CA ALA A 175 7.633 8.185 0.494 1.00 15.00 C ATOM 80 C ALA A 175 6.866 8.290 -0.820 1.00 15.00 C ATOM 81 O ALA A 175 7.392 7.973 -1.888 1.00 15.00 O ATOM 82 CB ALA A 175 8.569 9.372 0.660 1.00 15.00 C ATOM 0 H ALA A 175 9.330 6.992 0.198 1.00 15.00 H new ATOM 0 HA ALA A 175 6.908 8.194 1.307 1.00 15.00 H new ATOM 0 HB1 ALA A 175 7.996 10.298 0.603 1.00 15.00 H new ATOM 0 HB2 ALA A 175 9.065 9.312 1.629 1.00 15.00 H new ATOM 0 HB3 ALA A 175 9.318 9.359 -0.132 1.00 15.00 H new ATOM 88 N GLY A 176 5.623 8.742 -0.723 1.00 15.00 N ATOM 89 CA GLY A 176 4.745 8.789 -1.877 1.00 15.00 C ATOM 90 C GLY A 176 3.971 7.497 -2.005 1.00 15.00 C ATOM 91 O GLY A 176 3.346 7.209 -3.031 1.00 15.00 O ATOM 0 H GLY A 176 5.203 9.080 0.143 1.00 15.00 H new ATOM 0 HA2 GLY A 176 4.054 9.626 -1.782 1.00 15.00 H new ATOM 0 HA3 GLY A 176 5.330 8.960 -2.780 1.00 15.00 H new ATOM 95 N TRP A 177 3.997 6.735 -0.925 1.00 15.00 N ATOM 96 CA TRP A 177 3.355 5.437 -0.864 1.00 15.00 C ATOM 97 C TRP A 177 2.363 5.405 0.292 1.00 15.00 C ATOM 98 O TRP A 177 2.584 6.033 1.329 1.00 15.00 O ATOM 99 CB TRP A 177 4.405 4.336 -0.675 1.00 15.00 C ATOM 100 CG TRP A 177 5.294 4.112 -1.866 1.00 15.00 C ATOM 101 CD1 TRP A 177 6.349 4.878 -2.264 1.00 15.00 C ATOM 102 CD2 TRP A 177 5.217 3.029 -2.794 1.00 15.00 C ATOM 103 NE1 TRP A 177 6.923 4.343 -3.392 1.00 15.00 N ATOM 104 CE2 TRP A 177 6.245 3.206 -3.738 1.00 15.00 C ATOM 105 CE3 TRP A 177 4.374 1.933 -2.916 1.00 15.00 C ATOM 106 CZ2 TRP A 177 6.446 2.316 -4.792 1.00 15.00 C ATOM 107 CZ3 TRP A 177 4.573 1.049 -3.957 1.00 15.00 C ATOM 108 CH2 TRP A 177 5.602 1.245 -4.884 1.00 15.00 C ATOM 0 H TRP A 177 4.468 7.003 -0.061 1.00 15.00 H new ATOM 0 HA TRP A 177 2.824 5.263 -1.800 1.00 15.00 H new ATOM 0 HB2 TRP A 177 5.027 4.588 0.184 1.00 15.00 H new ATOM 0 HB3 TRP A 177 3.895 3.402 -0.437 1.00 15.00 H new ATOM 0 HD1 TRP A 177 6.685 5.775 -1.765 1.00 15.00 H new ATOM 0 HE1 TRP A 177 7.724 4.730 -3.890 1.00 15.00 H new ATOM 0 HE3 TRP A 177 3.575 1.774 -2.207 1.00 15.00 H new ATOM 0 HZ2 TRP A 177 7.239 2.467 -5.509 1.00 15.00 H new ATOM 0 HZ3 TRP A 177 3.924 0.192 -4.058 1.00 15.00 H new ATOM 0 HH2 TRP A 177 5.732 0.536 -5.688 1.00 15.00 H new ATOM 119 N GLU A 178 1.275 4.679 0.109 1.00 15.00 N ATOM 120 CA GLU A 178 0.291 4.502 1.164 1.00 15.00 C ATOM 121 C GLU A 178 0.624 3.237 1.942 1.00 15.00 C ATOM 122 O GLU A 178 0.592 2.135 1.391 1.00 15.00 O ATOM 123 CB GLU A 178 -1.113 4.419 0.568 1.00 15.00 C ATOM 124 CG GLU A 178 -2.221 4.450 1.600 1.00 15.00 C ATOM 125 CD GLU A 178 -2.399 5.834 2.180 1.00 15.00 C ATOM 126 OE1 GLU A 178 -1.642 6.201 3.099 1.00 15.00 O1- ATOM 127 OE2 GLU A 178 -3.267 6.576 1.680 1.00 15.00 O ATOM 0 H GLU A 178 1.049 4.201 -0.763 1.00 15.00 H new ATOM 0 HA GLU A 178 0.317 5.356 1.841 1.00 15.00 H new ATOM 0 HB2 GLU A 178 -1.252 5.249 -0.125 1.00 15.00 H new ATOM 0 HB3 GLU A 178 -1.197 3.501 -0.013 1.00 15.00 H new ATOM 0 HG2 GLU A 178 -3.155 4.123 1.143 1.00 15.00 H new ATOM 0 HG3 GLU A 178 -1.994 3.745 2.400 1.00 15.00 H new ATOM 134 N MET A 179 0.948 3.400 3.215 1.00 15.00 N ATOM 135 CA MET A 179 1.509 2.311 4.000 1.00 15.00 C ATOM 136 C MET A 179 0.502 1.776 5.009 1.00 15.00 C ATOM 137 O MET A 179 0.274 2.399 6.047 1.00 15.00 O ATOM 138 CB MET A 179 2.757 2.792 4.753 1.00 15.00 C ATOM 139 CG MET A 179 3.649 3.725 3.944 1.00 15.00 C ATOM 140 SD MET A 179 4.245 2.978 2.418 1.00 15.00 S ATOM 141 CE MET A 179 5.206 1.626 3.074 1.00 15.00 C ATOM 0 H MET A 179 0.832 4.275 3.727 1.00 15.00 H new ATOM 0 HA MET A 179 1.772 1.511 3.309 1.00 15.00 H new ATOM 0 HB2 MET A 179 2.445 3.304 5.663 1.00 15.00 H new ATOM 0 HB3 MET A 179 3.340 1.924 5.060 1.00 15.00 H new ATOM 0 HG2 MET A 179 3.095 4.633 3.706 1.00 15.00 H new ATOM 0 HG3 MET A 179 4.502 4.023 4.554 1.00 15.00 H new ATOM 0 HE1 MET A 179 5.631 1.050 2.252 1.00 15.00 H new ATOM 0 HE2 MET A 179 6.010 2.019 3.696 1.00 15.00 H new ATOM 0 HE3 MET A 179 4.564 0.982 3.675 1.00 15.00 H new ATOM 151 N ALA A 180 -0.109 0.634 4.718 1.00 15.00 N ATOM 152 CA ALA A 180 -1.000 0.010 5.688 1.00 15.00 C ATOM 153 C ALA A 180 -0.943 -1.505 5.590 1.00 15.00 C ATOM 154 O ALA A 180 -1.006 -2.079 4.504 1.00 15.00 O ATOM 155 CB ALA A 180 -2.423 0.508 5.526 1.00 15.00 C ATOM 0 H ALA A 180 -0.008 0.130 3.837 1.00 15.00 H new ATOM 0 HA ALA A 180 -0.656 0.296 6.682 1.00 15.00 H new ATOM 0 HB1 ALA A 180 -3.064 0.025 6.263 1.00 15.00 H new ATOM 0 HB2 ALA A 180 -2.450 1.588 5.674 1.00 15.00 H new ATOM 0 HB3 ALA A 180 -2.780 0.270 4.524 1.00 15.00 H new ATOM 161 N LYS A 181 -0.814 -2.149 6.738 1.00 15.00 N ATOM 162 CA LYS A 181 -0.679 -3.592 6.795 1.00 15.00 C ATOM 163 C LYS A 181 -1.725 -4.157 7.751 1.00 15.00 C ATOM 164 O LYS A 181 -1.803 -3.733 8.904 1.00 15.00 O ATOM 165 CB LYS A 181 0.730 -3.962 7.274 1.00 15.00 C ATOM 166 CG LYS A 181 1.815 -3.023 6.755 1.00 15.00 C ATOM 167 CD LYS A 181 3.194 -3.416 7.255 1.00 15.00 C ATOM 168 CE LYS A 181 4.175 -2.252 7.167 1.00 15.00 C ATOM 169 NZ LYS A 181 3.776 -1.129 8.061 1.00 15.00 N1+ ATOM 0 H LYS A 181 -0.800 -1.690 7.649 1.00 15.00 H new ATOM 0 HA LYS A 181 -0.834 -4.015 5.802 1.00 15.00 H new ATOM 0 HB2 LYS A 181 0.748 -3.958 8.364 1.00 15.00 H new ATOM 0 HB3 LYS A 181 0.958 -4.979 6.956 1.00 15.00 H new ATOM 0 HG2 LYS A 181 1.809 -3.029 5.665 1.00 15.00 H new ATOM 0 HG3 LYS A 181 1.593 -2.003 7.069 1.00 15.00 H new ATOM 0 HD2 LYS A 181 3.124 -3.756 8.288 1.00 15.00 H new ATOM 0 HD3 LYS A 181 3.569 -4.254 6.668 1.00 15.00 H new ATOM 0 HE2 LYS A 181 5.173 -2.596 7.437 1.00 15.00 H new ATOM 0 HE3 LYS A 181 4.228 -1.897 6.138 1.00 15.00 H new ATOM 0 HZ1 LYS A 181 4.618 -0.578 8.324 1.00 15.00 H new ATOM 0 HZ2 LYS A 181 3.101 -0.513 7.565 1.00 15.00 H new ATOM 0 HZ3 LYS A 181 3.330 -1.510 8.920 1.00 15.00 H new ATOM 183 N THR A 182 -2.516 -5.113 7.283 1.00 15.00 N ATOM 184 CA THR A 182 -3.587 -5.666 8.096 1.00 15.00 C ATOM 185 C THR A 182 -3.071 -6.853 8.900 1.00 15.00 C ATOM 186 O THR A 182 -2.170 -7.566 8.452 1.00 15.00 O ATOM 187 CB THR A 182 -4.790 -6.127 7.234 1.00 15.00 C ATOM 188 OG1 THR A 182 -4.498 -7.378 6.599 1.00 15.00 O ATOM 189 CG2 THR A 182 -5.133 -5.099 6.161 1.00 15.00 C ATOM 0 H THR A 182 -2.436 -5.519 6.351 1.00 15.00 H new ATOM 0 HA THR A 182 -3.927 -4.875 8.764 1.00 15.00 H new ATOM 0 HB THR A 182 -5.644 -6.238 7.902 1.00 15.00 H new ATOM 0 HG1 THR A 182 -5.287 -7.686 6.105 1.00 15.00 H new ATOM 0 HG21 THR A 182 -5.981 -5.454 5.575 1.00 15.00 H new ATOM 0 HG22 THR A 182 -5.390 -4.151 6.634 1.00 15.00 H new ATOM 0 HG23 THR A 182 -4.274 -4.956 5.506 1.00 15.00 H new ATOM 197 N SER A 183 -3.651 -7.062 10.080 1.00 15.00 N ATOM 198 CA SER A 183 -3.247 -8.149 10.968 1.00 15.00 C ATOM 199 C SER A 183 -3.575 -9.509 10.343 1.00 15.00 C ATOM 200 O SER A 183 -3.090 -10.549 10.790 1.00 15.00 O ATOM 201 CB SER A 183 -3.933 -7.997 12.332 1.00 15.00 C ATOM 202 OG SER A 183 -3.368 -8.863 13.301 1.00 15.00 O ATOM 0 H SER A 183 -4.410 -6.486 10.446 1.00 15.00 H new ATOM 0 HA SER A 183 -2.168 -8.098 11.114 1.00 15.00 H new ATOM 0 HB2 SER A 183 -3.845 -6.965 12.671 1.00 15.00 H new ATOM 0 HB3 SER A 183 -4.997 -8.209 12.230 1.00 15.00 H new ATOM 0 HG SER A 183 -3.184 -9.735 12.893 1.00 15.00 H new ATOM 208 N SER A 184 -4.411 -9.486 9.311 1.00 15.00 N ATOM 209 CA SER A 184 -4.686 -10.663 8.496 1.00 15.00 C ATOM 210 C SER A 184 -3.444 -11.054 7.694 1.00 15.00 C ATOM 211 O SER A 184 -3.362 -12.146 7.131 1.00 15.00 O ATOM 212 CB SER A 184 -5.871 -10.399 7.564 1.00 15.00 C ATOM 213 OG SER A 184 -7.032 -10.055 8.304 1.00 15.00 O ATOM 0 H SER A 184 -4.917 -8.651 9.016 1.00 15.00 H new ATOM 0 HA SER A 184 -4.945 -11.492 9.154 1.00 15.00 H new ATOM 0 HB2 SER A 184 -5.623 -9.593 6.874 1.00 15.00 H new ATOM 0 HB3 SER A 184 -6.069 -11.285 6.961 1.00 15.00 H new ATOM 0 HG SER A 184 -7.776 -9.889 7.688 1.00 15.00 H new ATOM 219 N GLY A 185 -2.486 -10.136 7.641 1.00 15.00 N ATOM 220 CA GLY A 185 -1.289 -10.331 6.857 1.00 15.00 C ATOM 221 C GLY A 185 -1.438 -9.809 5.448 1.00 15.00 C ATOM 222 O GLY A 185 -0.881 -10.367 4.502 1.00 15.00 O ATOM 0 H GLY A 185 -2.523 -9.246 8.138 1.00 15.00 H new ATOM 0 HA2 GLY A 185 -0.453 -9.828 7.342 1.00 15.00 H new ATOM 0 HA3 GLY A 185 -1.047 -11.393 6.825 1.00 15.00 H new ATOM 226 N GLN A 186 -2.178 -8.718 5.314 1.00 15.00 N ATOM 227 CA GLN A 186 -2.314 -8.049 4.029 1.00 15.00 C ATOM 228 C GLN A 186 -1.538 -6.749 4.051 1.00 15.00 C ATOM 229 O GLN A 186 -1.990 -5.753 4.611 1.00 15.00 O ATOM 230 CB GLN A 186 -3.778 -7.764 3.694 1.00 15.00 C ATOM 231 CG GLN A 186 -4.618 -9.013 3.533 1.00 15.00 C ATOM 232 CD GLN A 186 -6.099 -8.730 3.660 1.00 15.00 C ATOM 233 OE1 GLN A 186 -6.643 -8.740 4.761 1.00 15.00 O ATOM 234 NE2 GLN A 186 -6.759 -8.481 2.542 1.00 15.00 N ATOM 0 H GLN A 186 -2.692 -8.278 6.077 1.00 15.00 H new ATOM 0 HA GLN A 186 -1.916 -8.712 3.261 1.00 15.00 H new ATOM 0 HB2 GLN A 186 -4.208 -7.146 4.482 1.00 15.00 H new ATOM 0 HB3 GLN A 186 -3.825 -7.184 2.772 1.00 15.00 H new ATOM 0 HG2 GLN A 186 -4.418 -9.459 2.559 1.00 15.00 H new ATOM 0 HG3 GLN A 186 -4.324 -9.745 4.285 1.00 15.00 H new ATOM 0 HE21 GLN A 186 -6.267 -8.483 1.648 1.00 15.00 H new ATOM 0 HE22 GLN A 186 -7.760 -8.287 2.573 1.00 15.00 H new ATOM 243 N ARG A 187 -0.350 -6.776 3.487 1.00 15.00 N ATOM 244 CA ARG A 187 0.468 -5.586 3.414 1.00 15.00 C ATOM 245 C ARG A 187 0.288 -4.923 2.055 1.00 15.00 C ATOM 246 O ARG A 187 0.908 -5.318 1.070 1.00 15.00 O ATOM 247 CB ARG A 187 1.943 -5.923 3.690 1.00 15.00 C ATOM 248 CG ARG A 187 2.513 -7.016 2.796 1.00 15.00 C ATOM 249 CD ARG A 187 3.821 -7.563 3.342 1.00 15.00 C ATOM 250 NE ARG A 187 4.853 -6.533 3.481 1.00 15.00 N ATOM 251 CZ ARG A 187 5.614 -6.392 4.568 1.00 15.00 C ATOM 252 NH1 ARG A 187 5.386 -7.142 5.640 1.00 15.00 N1+ ATOM 253 NH2 ARG A 187 6.588 -5.493 4.590 1.00 15.00 N ATOM 0 H ARG A 187 0.070 -7.608 3.073 1.00 15.00 H new ATOM 0 HA ARG A 187 0.149 -4.882 4.183 1.00 15.00 H new ATOM 0 HB2 ARG A 187 2.540 -5.019 3.565 1.00 15.00 H new ATOM 0 HB3 ARG A 187 2.045 -6.231 4.731 1.00 15.00 H new ATOM 0 HG2 ARG A 187 1.789 -7.826 2.705 1.00 15.00 H new ATOM 0 HG3 ARG A 187 2.675 -6.619 1.794 1.00 15.00 H new ATOM 0 HD2 ARG A 187 3.640 -8.023 4.314 1.00 15.00 H new ATOM 0 HD3 ARG A 187 4.185 -8.349 2.680 1.00 15.00 H new ATOM 0 HE ARG A 187 4.998 -5.888 2.704 1.00 15.00 H new ATOM 0 HH11 ARG A 187 4.629 -7.826 5.632 1.00 15.00 H new ATOM 0 HH12 ARG A 187 5.968 -7.034 6.471 1.00 15.00 H new ATOM 0 HH21 ARG A 187 6.758 -4.905 3.774 1.00 15.00 H new ATOM 0 HH22 ARG A 187 7.167 -5.389 5.423 1.00 15.00 H new ATOM 267 N TYR A 188 -0.616 -3.961 1.983 1.00 15.00 N ATOM 268 CA TYR A 188 -0.855 -3.275 0.735 1.00 15.00 C ATOM 269 C TYR A 188 -0.183 -1.919 0.749 1.00 15.00 C ATOM 270 O TYR A 188 -0.153 -1.218 1.770 1.00 15.00 O ATOM 271 CB TYR A 188 -2.359 -3.148 0.424 1.00 15.00 C ATOM 272 CG TYR A 188 -3.177 -2.396 1.453 1.00 15.00 C ATOM 273 CD1 TYR A 188 -3.048 -1.022 1.614 1.00 15.00 C ATOM 274 CD2 TYR A 188 -4.092 -3.065 2.249 1.00 15.00 C ATOM 275 CE1 TYR A 188 -3.798 -0.338 2.546 1.00 15.00 C ATOM 276 CE2 TYR A 188 -4.852 -2.387 3.187 1.00 15.00 C ATOM 277 CZ TYR A 188 -4.699 -1.026 3.333 1.00 15.00 C ATOM 278 OH TYR A 188 -5.452 -0.349 4.265 1.00 15.00 O ATOM 0 H TYR A 188 -1.188 -3.644 2.766 1.00 15.00 H new ATOM 0 HA TYR A 188 -0.419 -3.874 -0.064 1.00 15.00 H new ATOM 0 HB2 TYR A 188 -2.472 -2.650 -0.539 1.00 15.00 H new ATOM 0 HB3 TYR A 188 -2.776 -4.149 0.316 1.00 15.00 H new ATOM 0 HD1 TYR A 188 -2.347 -0.480 0.997 1.00 15.00 H new ATOM 0 HD2 TYR A 188 -4.215 -4.132 2.136 1.00 15.00 H new ATOM 0 HE1 TYR A 188 -3.681 0.730 2.660 1.00 15.00 H new ATOM 0 HE2 TYR A 188 -5.561 -2.923 3.801 1.00 15.00 H new ATOM 0 HH TYR A 188 -6.037 -0.980 4.734 1.00 15.00 H new ATOM 288 N PHE A 189 0.369 -1.568 -0.385 1.00 15.00 N ATOM 289 CA PHE A 189 1.036 -0.305 -0.544 1.00 15.00 C ATOM 290 C PHE A 189 0.488 0.399 -1.771 1.00 15.00 C ATOM 291 O PHE A 189 0.513 -0.147 -2.867 1.00 15.00 O ATOM 292 CB PHE A 189 2.542 -0.524 -0.689 1.00 15.00 C ATOM 293 CG PHE A 189 3.157 -1.328 0.423 1.00 15.00 C ATOM 294 CD1 PHE A 189 3.617 -0.702 1.563 1.00 15.00 C ATOM 295 CD2 PHE A 189 3.287 -2.705 0.322 1.00 15.00 C ATOM 296 CE1 PHE A 189 4.197 -1.426 2.587 1.00 15.00 C ATOM 297 CE2 PHE A 189 3.868 -3.435 1.343 1.00 15.00 C ATOM 298 CZ PHE A 189 4.323 -2.792 2.477 1.00 15.00 C ATOM 0 H PHE A 189 0.368 -2.151 -1.222 1.00 15.00 H new ATOM 0 HA PHE A 189 0.859 0.314 0.336 1.00 15.00 H new ATOM 0 HB2 PHE A 189 2.735 -1.027 -1.636 1.00 15.00 H new ATOM 0 HB3 PHE A 189 3.036 0.446 -0.737 1.00 15.00 H new ATOM 0 HD1 PHE A 189 3.522 0.370 1.656 1.00 15.00 H new ATOM 0 HD2 PHE A 189 2.931 -3.212 -0.563 1.00 15.00 H new ATOM 0 HE1 PHE A 189 4.551 -0.920 3.473 1.00 15.00 H new ATOM 0 HE2 PHE A 189 3.966 -4.507 1.253 1.00 15.00 H new ATOM 0 HZ PHE A 189 4.777 -3.360 3.276 1.00 15.00 H new ATOM 308 N LEU A 190 -0.018 1.601 -1.591 1.00 15.00 N ATOM 309 CA LEU A 190 -0.508 2.377 -2.718 1.00 15.00 C ATOM 310 C LEU A 190 0.609 3.219 -3.297 1.00 15.00 C ATOM 311 O LEU A 190 1.377 3.822 -2.550 1.00 15.00 O ATOM 312 CB LEU A 190 -1.614 3.351 -2.309 1.00 15.00 C ATOM 313 CG LEU A 190 -3.060 2.871 -2.370 1.00 15.00 C ATOM 314 CD1 LEU A 190 -3.958 4.075 -2.600 1.00 15.00 C ATOM 315 CD2 LEU A 190 -3.263 1.848 -3.475 1.00 15.00 C ATOM 0 H LEU A 190 -0.102 2.062 -0.685 1.00 15.00 H new ATOM 0 HA LEU A 190 -0.893 1.657 -3.440 1.00 15.00 H new ATOM 0 HB2 LEU A 190 -1.413 3.672 -1.287 1.00 15.00 H new ATOM 0 HB3 LEU A 190 -1.530 4.234 -2.942 1.00 15.00 H new ATOM 0 HG LEU A 190 -3.311 2.384 -1.428 1.00 15.00 H new ATOM 0 HD11 LEU A 190 -4.997 3.750 -2.646 1.00 15.00 H new ATOM 0 HD12 LEU A 190 -3.835 4.782 -1.780 1.00 15.00 H new ATOM 0 HD13 LEU A 190 -3.686 4.557 -3.539 1.00 15.00 H new ATOM 0 HD21 LEU A 190 -4.305 1.529 -3.488 1.00 15.00 H new ATOM 0 HD22 LEU A 190 -3.008 2.295 -4.436 1.00 15.00 H new ATOM 0 HD23 LEU A 190 -2.622 0.985 -3.295 1.00 15.00 H new ATOM 327 N ASN A 191 0.679 3.317 -4.609 1.00 15.00 N ATOM 328 CA ASN A 191 1.485 4.351 -5.202 1.00 15.00 C ATOM 329 C ASN A 191 0.588 5.551 -5.364 1.00 15.00 C ATOM 330 O ASN A 191 -0.201 5.603 -6.309 1.00 15.00 O ATOM 331 CB ASN A 191 2.052 3.967 -6.573 1.00 15.00 C ATOM 332 CG ASN A 191 2.836 2.670 -6.594 1.00 15.00 C ATOM 333 OD1 ASN A 191 2.470 1.688 -5.950 1.00 15.00 O ATOM 334 ND2 ASN A 191 3.924 2.662 -7.346 1.00 15.00 N ATOM 0 H ASN A 191 0.197 2.706 -5.268 1.00 15.00 H new ATOM 0 HA ASN A 191 2.343 4.540 -4.557 1.00 15.00 H new ATOM 0 HB2 ASN A 191 1.228 3.889 -7.283 1.00 15.00 H new ATOM 0 HB3 ASN A 191 2.699 4.772 -6.922 1.00 15.00 H new ATOM 0 HD21 ASN A 191 4.495 1.819 -7.408 1.00 15.00 H new ATOM 0 HD22 ASN A 191 4.192 3.499 -7.864 1.00 15.00 H new ATOM 341 N HIS A 192 0.660 6.476 -4.406 1.00 15.00 N ATOM 342 CA HIS A 192 -0.191 7.667 -4.414 1.00 15.00 C ATOM 343 C HIS A 192 0.246 8.616 -5.526 1.00 15.00 C ATOM 344 O HIS A 192 -0.361 9.662 -5.748 1.00 15.00 O ATOM 345 CB HIS A 192 -0.148 8.384 -3.056 1.00 15.00 C ATOM 346 CG HIS A 192 -1.358 8.141 -2.190 1.00 15.00 C ATOM 347 ND1 HIS A 192 -2.363 9.071 -2.012 1.00 15.00 N ATOM 348 CD2 HIS A 192 -1.713 7.073 -1.439 1.00 15.00 C ATOM 349 CE1 HIS A 192 -3.275 8.582 -1.194 1.00 15.00 C ATOM 350 NE2 HIS A 192 -2.909 7.372 -0.827 1.00 15.00 N ATOM 0 H HIS A 192 1.300 6.423 -3.613 1.00 15.00 H new ATOM 0 HA HIS A 192 -1.218 7.352 -4.598 1.00 15.00 H new ATOM 0 HB2 HIS A 192 0.742 8.062 -2.516 1.00 15.00 H new ATOM 0 HB3 HIS A 192 -0.047 9.456 -3.227 1.00 15.00 H new ATOM 0 HD2 HIS A 192 -1.158 6.152 -1.338 1.00 15.00 H new ATOM 0 HE1 HIS A 192 -4.174 9.090 -0.878 1.00 15.00 H new ATOM 0 HE2 HIS A 192 -3.425 6.759 -0.195 1.00 15.00 H new ATOM 359 N ILE A 193 1.318 8.237 -6.210 1.00 15.00 N ATOM 360 CA ILE A 193 1.835 9.000 -7.332 1.00 15.00 C ATOM 361 C ILE A 193 1.507 8.302 -8.653 1.00 15.00 C ATOM 362 O ILE A 193 1.087 8.938 -9.617 1.00 15.00 O ATOM 363 CB ILE A 193 3.367 9.168 -7.225 1.00 15.00 C ATOM 364 CG1 ILE A 193 3.752 9.690 -5.838 1.00 15.00 C ATOM 365 CG2 ILE A 193 3.874 10.111 -8.307 1.00 15.00 C ATOM 366 CD1 ILE A 193 5.245 9.742 -5.601 1.00 15.00 C ATOM 0 H ILE A 193 1.851 7.393 -6.001 1.00 15.00 H new ATOM 0 HA ILE A 193 1.362 9.981 -7.308 1.00 15.00 H new ATOM 0 HB ILE A 193 3.833 8.193 -7.369 1.00 15.00 H new ATOM 0 HG12 ILE A 193 3.337 10.690 -5.708 1.00 15.00 H new ATOM 0 HG13 ILE A 193 3.295 9.054 -5.080 1.00 15.00 H new ATOM 0 HG21 ILE A 193 4.955 10.219 -8.218 1.00 15.00 H new ATOM 0 HG22 ILE A 193 3.629 9.704 -9.288 1.00 15.00 H new ATOM 0 HG23 ILE A 193 3.401 11.086 -8.191 1.00 15.00 H new ATOM 0 HD11 ILE A 193 5.441 10.122 -4.598 1.00 15.00 H new ATOM 0 HD12 ILE A 193 5.664 8.740 -5.698 1.00 15.00 H new ATOM 0 HD13 ILE A 193 5.707 10.402 -6.335 1.00 15.00 H new ATOM 378 N ASP A 194 1.697 6.985 -8.684 1.00 15.00 N ATOM 379 CA ASP A 194 1.528 6.211 -9.916 1.00 15.00 C ATOM 380 C ASP A 194 0.087 5.762 -10.111 1.00 15.00 C ATOM 381 O ASP A 194 -0.288 5.330 -11.204 1.00 15.00 O ATOM 382 CB ASP A 194 2.431 4.975 -9.916 1.00 15.00 C ATOM 383 CG ASP A 194 3.895 5.303 -9.722 1.00 15.00 C ATOM 384 OD1 ASP A 194 4.535 5.765 -10.688 1.00 15.00 O ATOM 385 OD2 ASP A 194 4.413 5.078 -8.610 1.00 15.00 O1- ATOM 0 H ASP A 194 1.968 6.430 -7.872 1.00 15.00 H new ATOM 0 HA ASP A 194 1.806 6.872 -10.737 1.00 15.00 H new ATOM 0 HB2 ASP A 194 2.109 4.299 -9.124 1.00 15.00 H new ATOM 0 HB3 ASP A 194 2.307 4.443 -10.859 1.00 15.00 H new ATOM 390 N GLN A 195 -0.704 5.846 -9.043 1.00 15.00 N ATOM 391 CA GLN A 195 -2.079 5.357 -9.048 1.00 15.00 C ATOM 392 C GLN A 195 -2.096 3.844 -9.251 1.00 15.00 C ATOM 393 O GLN A 195 -2.558 3.339 -10.273 1.00 15.00 O ATOM 394 CB GLN A 195 -2.916 6.080 -10.119 1.00 15.00 C ATOM 395 CG GLN A 195 -4.363 5.615 -10.211 1.00 15.00 C ATOM 396 CD GLN A 195 -5.172 6.435 -11.192 1.00 15.00 C ATOM 397 OE1 GLN A 195 -4.639 6.969 -12.164 1.00 15.00 O ATOM 398 NE2 GLN A 195 -6.468 6.540 -10.950 1.00 15.00 N ATOM 0 H GLN A 195 -0.411 6.253 -8.155 1.00 15.00 H new ATOM 0 HA GLN A 195 -2.533 5.575 -8.081 1.00 15.00 H new ATOM 0 HB2 GLN A 195 -2.904 7.150 -9.910 1.00 15.00 H new ATOM 0 HB3 GLN A 195 -2.440 5.940 -11.090 1.00 15.00 H new ATOM 0 HG2 GLN A 195 -4.387 4.567 -10.511 1.00 15.00 H new ATOM 0 HG3 GLN A 195 -4.824 5.674 -9.225 1.00 15.00 H new ATOM 0 HE21 GLN A 195 -6.873 6.083 -10.133 1.00 15.00 H new ATOM 0 HE22 GLN A 195 -7.062 7.078 -11.580 1.00 15.00 H new ATOM 407 N THR A 196 -1.539 3.125 -8.285 1.00 15.00 N ATOM 408 CA THR A 196 -1.526 1.663 -8.346 1.00 15.00 C ATOM 409 C THR A 196 -1.637 1.038 -6.960 1.00 15.00 C ATOM 410 O THR A 196 -1.127 1.586 -5.980 1.00 15.00 O ATOM 411 CB THR A 196 -0.246 1.132 -9.036 1.00 15.00 C ATOM 412 OG1 THR A 196 0.885 1.916 -8.646 1.00 15.00 O ATOM 413 CG2 THR A 196 -0.369 1.144 -10.552 1.00 15.00 C ATOM 0 H THR A 196 -1.094 3.521 -7.457 1.00 15.00 H new ATOM 0 HA THR A 196 -2.396 1.376 -8.936 1.00 15.00 H new ATOM 0 HB THR A 196 -0.112 0.099 -8.716 1.00 15.00 H new ATOM 0 HG1 THR A 196 1.690 1.571 -9.086 1.00 15.00 H new ATOM 0 HG21 THR A 196 0.551 0.763 -10.995 1.00 15.00 H new ATOM 0 HG22 THR A 196 -1.205 0.513 -10.854 1.00 15.00 H new ATOM 0 HG23 THR A 196 -0.542 2.164 -10.895 1.00 15.00 H new ATOM 421 N THR A 197 -2.311 -0.104 -6.889 1.00 15.00 N ATOM 422 CA THR A 197 -2.437 -0.849 -5.648 1.00 15.00 C ATOM 423 C THR A 197 -1.460 -2.020 -5.640 1.00 15.00 C ATOM 424 O THR A 197 -1.628 -3.001 -6.368 1.00 15.00 O ATOM 425 CB THR A 197 -3.872 -1.367 -5.443 1.00 15.00 C ATOM 426 OG1 THR A 197 -4.806 -0.282 -5.576 1.00 15.00 O ATOM 427 CG2 THR A 197 -4.028 -2.003 -4.069 1.00 15.00 C ATOM 0 H THR A 197 -2.781 -0.535 -7.685 1.00 15.00 H new ATOM 0 HA THR A 197 -2.202 -0.171 -4.828 1.00 15.00 H new ATOM 0 HB THR A 197 -4.074 -2.122 -6.202 1.00 15.00 H new ATOM 0 HG1 THR A 197 -5.718 -0.617 -5.446 1.00 15.00 H new ATOM 0 HG21 THR A 197 -5.050 -2.361 -3.948 1.00 15.00 H new ATOM 0 HG22 THR A 197 -3.336 -2.840 -3.975 1.00 15.00 H new ATOM 0 HG23 THR A 197 -3.809 -1.263 -3.299 1.00 15.00 H new ATOM 435 N THR A 198 -0.440 -1.904 -4.817 1.00 15.00 N ATOM 436 CA THR A 198 0.650 -2.855 -4.792 1.00 15.00 C ATOM 437 C THR A 198 0.513 -3.844 -3.620 1.00 15.00 C ATOM 438 O THR A 198 0.565 -3.443 -2.457 1.00 15.00 O ATOM 439 CB THR A 198 1.981 -2.081 -4.690 1.00 15.00 C ATOM 440 OG1 THR A 198 2.097 -1.182 -5.805 1.00 15.00 O ATOM 441 CG2 THR A 198 3.176 -3.012 -4.664 1.00 15.00 C ATOM 0 H THR A 198 -0.343 -1.144 -4.144 1.00 15.00 H new ATOM 0 HA THR A 198 0.627 -3.441 -5.711 1.00 15.00 H new ATOM 0 HB THR A 198 1.973 -1.524 -3.753 1.00 15.00 H new ATOM 0 HG1 THR A 198 2.231 -0.269 -5.476 1.00 15.00 H new ATOM 0 HG21 THR A 198 4.092 -2.426 -4.592 1.00 15.00 H new ATOM 0 HG22 THR A 198 3.101 -3.676 -3.803 1.00 15.00 H new ATOM 0 HG23 THR A 198 3.196 -3.605 -5.579 1.00 15.00 H new ATOM 449 N TRP A 199 0.305 -5.131 -3.932 1.00 15.00 N ATOM 450 CA TRP A 199 0.281 -6.184 -2.911 1.00 15.00 C ATOM 451 C TRP A 199 1.697 -6.524 -2.441 1.00 15.00 C ATOM 452 O TRP A 199 1.899 -6.986 -1.321 1.00 15.00 O ATOM 453 CB TRP A 199 -0.322 -7.478 -3.462 1.00 15.00 C ATOM 454 CG TRP A 199 -1.818 -7.634 -3.395 1.00 15.00 C ATOM 455 CD1 TRP A 199 -2.622 -8.068 -4.412 1.00 15.00 C ATOM 456 CD2 TRP A 199 -2.695 -7.396 -2.280 1.00 15.00 C ATOM 457 NE1 TRP A 199 -3.918 -8.153 -4.000 1.00 15.00 N ATOM 458 CE2 TRP A 199 -3.990 -7.755 -2.704 1.00 15.00 C ATOM 459 CE3 TRP A 199 -2.536 -6.929 -0.966 1.00 15.00 C ATOM 460 CZ2 TRP A 199 -5.085 -7.681 -1.876 1.00 15.00 C ATOM 461 CZ3 TRP A 199 -3.665 -6.832 -0.161 1.00 15.00 C ATOM 462 CH2 TRP A 199 -4.922 -7.227 -0.642 1.00 15.00 C ATOM 0 H TRP A 199 0.151 -5.466 -4.883 1.00 15.00 H new ATOM 0 HA TRP A 199 -0.321 -5.799 -2.088 1.00 15.00 H new ATOM 0 HB2 TRP A 199 -0.021 -7.571 -4.505 1.00 15.00 H new ATOM 0 HB3 TRP A 199 0.127 -8.313 -2.925 1.00 15.00 H new ATOM 0 HD1 TRP A 199 -2.277 -8.310 -5.406 1.00 15.00 H new ATOM 0 HE1 TRP A 199 -4.704 -8.464 -4.571 1.00 15.00 H new ATOM 0 HE3 TRP A 199 -1.562 -6.652 -0.590 1.00 15.00 H new ATOM 0 HZ2 TRP A 199 -6.060 -7.987 -2.225 1.00 15.00 H new ATOM 0 HZ3 TRP A 199 -3.573 -6.449 0.845 1.00 15.00 H new ATOM 0 HH2 TRP A 199 -5.780 -7.159 0.011 1.00 15.00 H new ATOM 473 N GLN A 200 2.665 -6.342 -3.330 1.00 15.00 N ATOM 474 CA GLN A 200 4.021 -6.823 -3.094 1.00 15.00 C ATOM 475 C GLN A 200 4.889 -5.726 -2.499 1.00 15.00 C ATOM 476 O GLN A 200 4.975 -4.634 -3.047 1.00 15.00 O ATOM 477 CB GLN A 200 4.623 -7.331 -4.406 1.00 15.00 C ATOM 478 CG GLN A 200 3.791 -8.424 -5.064 1.00 15.00 C ATOM 479 CD GLN A 200 4.392 -8.937 -6.360 1.00 15.00 C ATOM 480 OE1 GLN A 200 5.097 -8.073 -7.073 1.00 15.00 O flip ATOM 481 NE2 GLN A 200 4.212 -10.100 -6.722 1.00 15.00 N flip ATOM 0 H GLN A 200 2.537 -5.864 -4.222 1.00 15.00 H new ATOM 0 HA GLN A 200 3.982 -7.644 -2.378 1.00 15.00 H new ATOM 0 HB2 GLN A 200 4.726 -6.496 -5.098 1.00 15.00 H new ATOM 0 HB3 GLN A 200 5.626 -7.712 -4.214 1.00 15.00 H new ATOM 0 HG2 GLN A 200 3.681 -9.256 -4.368 1.00 15.00 H new ATOM 0 HG3 GLN A 200 2.790 -8.040 -5.262 1.00 15.00 H new ATOM 0 HE21 GLN A 200 3.662 -10.735 -6.143 1.00 15.00 H new ATOM 0 HE22 GLN A 200 4.613 -10.429 -7.601 1.00 15.00 H new ATOM 490 N ASP A 201 5.547 -6.039 -1.388 1.00 15.00 N ATOM 491 CA ASP A 201 6.350 -5.062 -0.653 1.00 15.00 C ATOM 492 C ASP A 201 7.412 -4.410 -1.541 1.00 15.00 C ATOM 493 O ASP A 201 8.354 -5.068 -1.991 1.00 15.00 O ATOM 494 CB ASP A 201 7.021 -5.727 0.550 1.00 15.00 C ATOM 495 CG ASP A 201 7.779 -4.732 1.402 1.00 15.00 C ATOM 496 OD1 ASP A 201 8.956 -4.460 1.098 1.00 15.00 O1- ATOM 497 OD2 ASP A 201 7.195 -4.224 2.381 1.00 15.00 O ATOM 0 H ASP A 201 5.541 -6.970 -0.972 1.00 15.00 H new ATOM 0 HA ASP A 201 5.674 -4.279 -0.310 1.00 15.00 H new ATOM 0 HB2 ASP A 201 6.264 -6.222 1.159 1.00 15.00 H new ATOM 0 HB3 ASP A 201 7.705 -6.500 0.201 1.00 15.00 H new ATOM 502 N PRO A 202 7.254 -3.104 -1.819 1.00 15.00 N ATOM 503 CA PRO A 202 8.199 -2.340 -2.632 1.00 15.00 C ATOM 504 C PRO A 202 9.477 -1.978 -1.887 1.00 15.00 C ATOM 505 O PRO A 202 10.459 -1.561 -2.499 1.00 15.00 O ATOM 506 CB PRO A 202 7.430 -1.062 -2.971 1.00 15.00 C ATOM 507 CG PRO A 202 6.463 -0.892 -1.854 1.00 15.00 C ATOM 508 CD PRO A 202 6.107 -2.279 -1.393 1.00 15.00 C ATOM 0 HA PRO A 202 8.524 -2.918 -3.497 1.00 15.00 H new ATOM 0 HB2 PRO A 202 8.100 -0.206 -3.048 1.00 15.00 H new ATOM 0 HB3 PRO A 202 6.917 -1.152 -3.928 1.00 15.00 H new ATOM 0 HG2 PRO A 202 6.904 -0.313 -1.042 1.00 15.00 H new ATOM 0 HG3 PRO A 202 5.576 -0.352 -2.186 1.00 15.00 H new ATOM 0 HD2 PRO A 202 5.968 -2.317 -0.313 1.00 15.00 H new ATOM 0 HD3 PRO A 202 5.178 -2.624 -1.846 1.00 15.00 H new ATOM 516 N ARG A 203 9.461 -2.114 -0.566 1.00 15.00 N ATOM 517 CA ARG A 203 10.553 -1.615 0.257 1.00 15.00 C ATOM 518 C ARG A 203 11.763 -2.538 0.194 1.00 15.00 C ATOM 519 O ARG A 203 12.862 -2.171 0.616 1.00 15.00 O ATOM 520 CB ARG A 203 10.108 -1.401 1.703 1.00 15.00 C ATOM 521 CG ARG A 203 11.063 -0.508 2.475 1.00 15.00 C ATOM 522 CD ARG A 203 11.283 0.796 1.726 1.00 15.00 C ATOM 523 NE ARG A 203 12.424 1.546 2.236 1.00 15.00 N ATOM 524 CZ ARG A 203 13.409 2.017 1.467 1.00 15.00 C ATOM 525 NH1 ARG A 203 13.386 1.826 0.152 1.00 15.00 N1+ ATOM 526 NH2 ARG A 203 14.420 2.683 2.012 1.00 15.00 N ATOM 0 H ARG A 203 8.708 -2.563 -0.045 1.00 15.00 H new ATOM 0 HA ARG A 203 10.848 -0.648 -0.149 1.00 15.00 H new ATOM 0 HB2 ARG A 203 9.112 -0.958 1.712 1.00 15.00 H new ATOM 0 HB3 ARG A 203 10.032 -2.366 2.204 1.00 15.00 H new ATOM 0 HG2 ARG A 203 10.659 -0.303 3.467 1.00 15.00 H new ATOM 0 HG3 ARG A 203 12.015 -1.019 2.618 1.00 15.00 H new ATOM 0 HD2 ARG A 203 11.436 0.582 0.668 1.00 15.00 H new ATOM 0 HD3 ARG A 203 10.386 1.410 1.801 1.00 15.00 H new ATOM 0 HE ARG A 203 12.473 1.721 3.240 1.00 15.00 H new ATOM 0 HH11 ARG A 203 12.613 1.317 -0.276 1.00 15.00 H new ATOM 0 HH12 ARG A 203 14.142 2.189 -0.429 1.00 15.00 H new ATOM 0 HH21 ARG A 203 14.446 2.836 3.020 1.00 15.00 H new ATOM 0 HH22 ARG A 203 15.171 3.042 1.423 1.00 15.00 H new ATOM 540 N LYS A 204 11.551 -3.745 -0.309 1.00 15.00 N ATOM 541 CA LYS A 204 12.638 -4.697 -0.507 1.00 15.00 C ATOM 542 C LYS A 204 13.659 -4.152 -1.510 1.00 15.00 C ATOM 543 O LYS A 204 14.786 -4.644 -1.599 1.00 15.00 O ATOM 544 CB LYS A 204 12.081 -6.038 -0.988 1.00 15.00 C ATOM 545 CG LYS A 204 11.010 -6.616 -0.075 1.00 15.00 C ATOM 546 CD LYS A 204 11.569 -6.965 1.294 1.00 15.00 C ATOM 547 CE LYS A 204 10.462 -7.302 2.283 1.00 15.00 C ATOM 548 NZ LYS A 204 9.523 -8.322 1.747 1.00 15.00 N1+ ATOM 0 H LYS A 204 10.633 -4.091 -0.589 1.00 15.00 H new ATOM 0 HA LYS A 204 13.144 -4.848 0.446 1.00 15.00 H new ATOM 0 HB2 LYS A 204 11.665 -5.911 -1.987 1.00 15.00 H new ATOM 0 HB3 LYS A 204 12.900 -6.753 -1.072 1.00 15.00 H new ATOM 0 HG2 LYS A 204 10.199 -5.897 0.036 1.00 15.00 H new ATOM 0 HG3 LYS A 204 10.584 -7.509 -0.533 1.00 15.00 H new ATOM 0 HD2 LYS A 204 12.248 -7.813 1.205 1.00 15.00 H new ATOM 0 HD3 LYS A 204 12.154 -6.127 1.673 1.00 15.00 H new ATOM 0 HE2 LYS A 204 10.904 -7.668 3.210 1.00 15.00 H new ATOM 0 HE3 LYS A 204 9.909 -6.396 2.530 1.00 15.00 H new ATOM 0 HZ1 LYS A 204 8.816 -8.558 2.472 1.00 15.00 H new ATOM 0 HZ2 LYS A 204 9.043 -7.944 0.905 1.00 15.00 H new ATOM 0 HZ3 LYS A 204 10.052 -9.179 1.488 1.00 15.00 H new ATOM 562 N ALA A 205 13.250 -3.141 -2.270 1.00 15.00 N ATOM 563 CA ALA A 205 14.135 -2.487 -3.221 1.00 15.00 C ATOM 564 C ALA A 205 14.754 -1.235 -2.606 1.00 15.00 C ATOM 565 O ALA A 205 15.881 -1.328 -2.074 1.00 15.00 O ATOM 566 CB ALA A 205 13.379 -2.141 -4.495 1.00 15.00 C ATOM 567 OXT ALA A 205 14.107 -0.165 -2.645 1.00 15.00 O ATOM 0 H ALA A 205 12.305 -2.757 -2.243 1.00 15.00 H new ATOM 0 HA ALA A 205 14.941 -3.176 -3.474 1.00 15.00 H new ATOM 0 HB1 ALA A 205 14.054 -1.652 -5.197 1.00 15.00 H new ATOM 0 HB2 ALA A 205 12.986 -3.053 -4.944 1.00 15.00 H new ATOM 0 HB3 ALA A 205 12.554 -1.469 -4.258 1.00 15.00 H new TER 573 ALA A 205 ATOM 574 N GLY B 204 -3.912 -15.940 -4.126 1.00 15.00 N ATOM 575 CA GLY B 204 -5.360 -15.882 -3.817 1.00 15.00 C ATOM 576 C GLY B 204 -5.686 -14.738 -2.888 1.00 15.00 C ATOM 577 O GLY B 204 -6.125 -14.948 -1.755 1.00 15.00 O ATOM 0 HA2 GLY B 204 -5.926 -15.772 -4.742 1.00 15.00 H new ATOM 0 HA3 GLY B 204 -5.673 -16.821 -3.362 1.00 15.00 H new ATOM 583 N GLU B 205 -5.479 -13.523 -3.370 1.00 15.00 N ATOM 584 CA GLU B 205 -5.698 -12.338 -2.560 1.00 15.00 C ATOM 585 C GLU B 205 -7.137 -11.885 -2.739 1.00 15.00 C ATOM 586 O GLU B 205 -7.724 -12.070 -3.806 1.00 15.00 O ATOM 587 CB GLU B 205 -4.782 -11.166 -2.969 1.00 15.00 C ATOM 588 CG GLU B 205 -3.263 -11.422 -3.010 1.00 15.00 C ATOM 589 CD GLU B 205 -2.829 -12.859 -2.773 1.00 15.00 C ATOM 590 OE1 GLU B 205 -2.812 -13.301 -1.609 1.00 15.00 O ATOM 591 OE2 GLU B 205 -2.487 -13.551 -3.762 1.00 15.00 O1- ATOM 0 H GLU B 205 -5.159 -13.333 -4.320 1.00 15.00 H new ATOM 0 HA GLU B 205 -5.475 -12.604 -1.527 1.00 15.00 H new ATOM 0 HB2 GLU B 205 -5.092 -10.828 -3.958 1.00 15.00 H new ATOM 0 HB3 GLU B 205 -4.964 -10.342 -2.279 1.00 15.00 H new ATOM 0 HG2 GLU B 205 -2.886 -11.104 -3.982 1.00 15.00 H new ATOM 0 HG3 GLU B 205 -2.786 -10.790 -2.261 1.00 15.00 H new ATOM 598 N SER B 206 -7.692 -11.274 -1.716 1.00 15.00 N ATOM 599 CA SER B 206 -9.001 -10.664 -1.828 1.00 15.00 C ATOM 600 C SER B 206 -8.813 -9.223 -2.283 1.00 15.00 C ATOM 601 O SER B 206 -7.817 -8.605 -1.921 1.00 15.00 O ATOM 602 CB SER B 206 -9.705 -10.718 -0.474 1.00 15.00 C ATOM 603 OG SER B 206 -9.667 -12.033 0.059 1.00 15.00 O ATOM 0 H SER B 206 -7.259 -11.186 -0.797 1.00 15.00 H new ATOM 0 HA SER B 206 -9.617 -11.197 -2.552 1.00 15.00 H new ATOM 0 HB2 SER B 206 -9.226 -10.026 0.218 1.00 15.00 H new ATOM 0 HB3 SER B 206 -10.740 -10.394 -0.583 1.00 15.00 H new ATOM 0 HG SER B 206 -10.121 -12.047 0.927 1.00 15.00 H new ATOM 609 N PRO B 207 -9.759 -8.664 -3.062 1.00 15.00 N ATOM 610 CA PRO B 207 -9.616 -7.323 -3.648 1.00 15.00 C ATOM 611 C PRO B 207 -9.181 -6.292 -2.612 1.00 15.00 C ATOM 612 O PRO B 207 -9.796 -6.172 -1.550 1.00 15.00 O ATOM 613 CB PRO B 207 -11.024 -6.997 -4.173 1.00 15.00 C ATOM 614 CG PRO B 207 -11.916 -8.079 -3.654 1.00 15.00 C ATOM 615 CD PRO B 207 -11.039 -9.275 -3.426 1.00 15.00 C ATOM 0 HA PRO B 207 -8.850 -7.298 -4.423 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -11.354 -6.018 -3.825 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -11.038 -6.969 -5.263 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -12.402 -7.771 -2.728 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -12.707 -8.307 -4.369 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -11.424 -9.915 -2.632 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -10.954 -9.893 -4.320 1.00 15.00 H new ATOM 623 N PRO B 208 -8.130 -5.512 -2.914 1.00 15.00 N ATOM 624 CA PRO B 208 -7.464 -4.646 -1.962 1.00 15.00 C ATOM 625 C PRO B 208 -8.116 -3.256 -1.987 1.00 15.00 C ATOM 626 O PRO B 208 -9.064 -3.035 -2.741 1.00 15.00 O ATOM 627 CB PRO B 208 -6.007 -4.619 -2.523 1.00 15.00 C ATOM 628 CG PRO B 208 -6.084 -5.357 -3.835 1.00 15.00 C ATOM 629 CD PRO B 208 -7.518 -5.264 -4.204 1.00 15.00 C ATOM 0 HA PRO B 208 -7.513 -4.973 -0.923 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -5.657 -3.597 -2.665 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -5.311 -5.102 -1.838 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -5.445 -4.899 -4.590 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -5.763 -6.394 -3.731 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -7.781 -4.287 -4.608 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -7.805 -6.005 -4.950 1.00 15.00 H new ATOM 637 N PRO B 209 -7.632 -2.312 -1.171 1.00 15.00 N ATOM 638 CA PRO B 209 -8.180 -0.948 -1.114 1.00 15.00 C ATOM 639 C PRO B 209 -8.365 -0.273 -2.474 1.00 15.00 C ATOM 640 O PRO B 209 -7.538 -0.426 -3.381 1.00 15.00 O ATOM 641 CB PRO B 209 -7.107 -0.178 -0.367 1.00 15.00 C ATOM 642 CG PRO B 209 -6.389 -1.175 0.461 1.00 15.00 C ATOM 643 CD PRO B 209 -6.547 -2.511 -0.201 1.00 15.00 C ATOM 0 HA PRO B 209 -9.172 -0.970 -0.663 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -6.426 0.315 -1.061 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -7.548 0.601 0.255 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.335 -0.913 0.548 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.796 -1.198 1.472 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -5.626 -2.822 -0.694 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -6.798 -3.286 0.523 1.00 15.00 H new ATOM 651 N PRO B 210 -9.453 0.500 -2.613 1.00 15.00 N ATOM 652 CA PRO B 210 -9.616 1.450 -3.715 1.00 15.00 C ATOM 653 C PRO B 210 -8.576 2.561 -3.606 1.00 15.00 C ATOM 654 O PRO B 210 -8.306 3.061 -2.514 1.00 15.00 O ATOM 655 CB PRO B 210 -11.029 2.016 -3.514 1.00 15.00 C ATOM 656 CG PRO B 210 -11.705 1.068 -2.580 1.00 15.00 C ATOM 657 CD PRO B 210 -10.619 0.497 -1.718 1.00 15.00 C ATOM 0 HA PRO B 210 -9.485 0.990 -4.695 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -10.994 3.022 -3.096 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -11.564 2.083 -4.461 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -12.454 1.581 -1.977 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -12.223 0.281 -3.129 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.448 1.104 -0.829 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.862 -0.509 -1.375 1.00 15.00 H new ATOM 665 N TYR B 211 -8.021 2.962 -4.734 1.00 15.00 N ATOM 666 CA TYR B 211 -6.876 3.867 -4.753 1.00 15.00 C ATOM 667 C TYR B 211 -7.241 5.331 -4.444 1.00 15.00 C ATOM 668 O TYR B 211 -6.352 6.145 -4.197 1.00 15.00 O ATOM 669 CB TYR B 211 -6.155 3.771 -6.111 1.00 15.00 C ATOM 670 CG TYR B 211 -5.194 4.908 -6.356 1.00 15.00 C ATOM 671 CD1 TYR B 211 -3.908 4.865 -5.849 1.00 15.00 C ATOM 672 CD2 TYR B 211 -5.589 6.043 -7.056 1.00 15.00 C ATOM 673 CE1 TYR B 211 -3.041 5.917 -6.028 1.00 15.00 C ATOM 674 CE2 TYR B 211 -4.722 7.099 -7.245 1.00 15.00 C ATOM 675 CZ TYR B 211 -3.450 7.032 -6.726 1.00 15.00 C ATOM 676 OH TYR B 211 -2.577 8.079 -6.912 1.00 15.00 O ATOM 0 H TYR B 211 -8.344 2.675 -5.658 1.00 15.00 H new ATOM 0 HA TYR B 211 -6.212 3.545 -3.951 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -5.611 2.827 -6.160 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -6.898 3.753 -6.909 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -3.580 3.992 -5.304 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -6.590 6.098 -7.458 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -2.041 5.869 -5.622 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -5.039 7.972 -7.796 1.00 15.00 H new ATOM 0 HH TYR B 211 -3.020 8.787 -7.425 1.00 15.00 H new ATOM 686 N SER B 212 -8.525 5.662 -4.397 1.00 15.00 N ATOM 687 CA SER B 212 -8.939 7.058 -4.535 1.00 15.00 C ATOM 688 C SER B 212 -8.335 7.970 -3.456 1.00 15.00 C ATOM 689 O SER B 212 -7.489 8.813 -3.773 1.00 15.00 O ATOM 690 CB SER B 212 -10.464 7.149 -4.522 1.00 15.00 C ATOM 691 OG SER B 212 -11.015 6.373 -3.470 1.00 15.00 O ATOM 0 H SER B 212 -9.288 4.998 -4.267 1.00 15.00 H new ATOM 0 HA SER B 212 -8.557 7.416 -5.491 1.00 15.00 H new ATOM 0 HB2 SER B 212 -10.768 8.190 -4.408 1.00 15.00 H new ATOM 0 HB3 SER B 212 -10.860 6.804 -5.477 1.00 15.00 H new ATOM 0 HG SER B 212 -11.992 6.450 -3.483 1.00 15.00 H new ATOM 697 N ARG B 213 -8.759 7.847 -2.206 1.00 15.00 N ATOM 698 CA ARG B 213 -8.085 8.591 -1.146 1.00 15.00 C ATOM 699 C ARG B 213 -7.506 7.675 -0.078 1.00 15.00 C ATOM 700 O ARG B 213 -6.293 7.501 0.012 1.00 15.00 O ATOM 701 CB ARG B 213 -9.024 9.614 -0.504 1.00 15.00 C ATOM 702 CG ARG B 213 -9.280 10.830 -1.379 1.00 15.00 C ATOM 703 CD ARG B 213 -7.969 11.480 -1.795 1.00 15.00 C ATOM 704 NE ARG B 213 -8.169 12.712 -2.553 1.00 15.00 N ATOM 705 CZ ARG B 213 -7.746 12.896 -3.803 1.00 15.00 C ATOM 706 NH1 ARG B 213 -7.183 11.898 -4.477 1.00 15.00 N1+ ATOM 707 NH2 ARG B 213 -7.904 14.074 -4.390 1.00 15.00 N ATOM 0 H ARG B 213 -9.538 7.262 -1.905 1.00 15.00 H new ATOM 0 HA ARG B 213 -7.256 9.119 -1.618 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -9.975 9.132 -0.278 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -8.599 9.941 0.445 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -9.842 10.535 -2.265 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -9.893 11.551 -0.838 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -7.377 11.697 -0.906 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -7.394 10.777 -2.397 1.00 15.00 H new ATOM 0 HE ARG B 213 -8.663 13.479 -2.097 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -7.073 10.984 -4.038 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -6.862 12.046 -5.434 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -8.349 14.840 -3.885 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -7.580 14.215 -5.347 1.00 15.00 H new ATOM 721 N TYR B 214 -8.387 7.071 0.707 1.00 15.00 N ATOM 722 CA TYR B 214 -7.976 6.283 1.862 1.00 15.00 C ATOM 723 C TYR B 214 -8.448 4.844 1.727 1.00 15.00 C ATOM 724 O TYR B 214 -9.625 4.597 1.455 1.00 15.00 O ATOM 725 CB TYR B 214 -8.526 6.903 3.154 1.00 15.00 C ATOM 726 CG TYR B 214 -7.793 8.151 3.616 1.00 15.00 C ATOM 727 CD1 TYR B 214 -7.102 8.960 2.720 1.00 15.00 C ATOM 728 CD2 TYR B 214 -7.793 8.516 4.955 1.00 15.00 C ATOM 729 CE1 TYR B 214 -6.433 10.090 3.140 1.00 15.00 C ATOM 730 CE2 TYR B 214 -7.127 9.647 5.385 1.00 15.00 C ATOM 731 CZ TYR B 214 -6.449 10.431 4.476 1.00 15.00 C ATOM 732 OH TYR B 214 -5.789 11.559 4.906 1.00 15.00 O ATOM 0 H TYR B 214 -9.396 7.112 0.564 1.00 15.00 H new ATOM 0 HA TYR B 214 -6.887 6.285 1.907 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -9.577 7.149 3.005 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -8.482 6.157 3.947 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -7.089 8.697 1.673 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -8.322 7.906 5.672 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -5.901 10.703 2.428 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -7.137 9.917 6.431 1.00 15.00 H new ATOM 0 HH TYR B 214 -5.901 11.654 5.875 1.00 15.00 H new ATOM 742 N PRO B 215 -7.541 3.882 1.940 1.00 15.00 N ATOM 743 CA PRO B 215 -7.851 2.455 1.819 1.00 15.00 C ATOM 744 C PRO B 215 -8.853 1.973 2.862 1.00 15.00 C ATOM 745 O PRO B 215 -10.006 1.669 2.548 1.00 15.00 O ATOM 746 CB PRO B 215 -6.499 1.767 2.042 1.00 15.00 C ATOM 747 CG PRO B 215 -5.473 2.830 1.887 1.00 15.00 C ATOM 748 CD PRO B 215 -6.134 4.109 2.307 1.00 15.00 C ATOM 0 HA PRO B 215 -8.311 2.234 0.856 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -6.448 1.316 3.033 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.344 0.966 1.319 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -4.599 2.622 2.504 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -5.127 2.890 0.855 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -6.019 4.292 3.375 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -5.714 4.971 1.788 1.00 15.00 H new ATOM 756 N MET B 216 -8.410 1.924 4.106 1.00 15.00 N ATOM 757 CA MET B 216 -9.239 1.440 5.195 1.00 15.00 C ATOM 758 C MET B 216 -9.461 2.549 6.212 1.00 15.00 C ATOM 759 O MET B 216 -8.505 3.151 6.700 1.00 15.00 O ATOM 760 CB MET B 216 -8.574 0.236 5.872 1.00 15.00 C ATOM 761 CG MET B 216 -9.442 -0.461 6.915 1.00 15.00 C ATOM 762 SD MET B 216 -10.610 -1.648 6.205 1.00 15.00 S ATOM 763 CE MET B 216 -11.745 -0.578 5.320 1.00 15.00 C ATOM 0 H MET B 216 -7.474 2.216 4.388 1.00 15.00 H new ATOM 0 HA MET B 216 -10.202 1.129 4.791 1.00 15.00 H new ATOM 0 HB2 MET B 216 -8.296 -0.488 5.106 1.00 15.00 H new ATOM 0 HB3 MET B 216 -7.651 0.567 6.348 1.00 15.00 H new ATOM 0 HG2 MET B 216 -8.797 -0.978 7.626 1.00 15.00 H new ATOM 0 HG3 MET B 216 -9.996 0.291 7.476 1.00 15.00 H new ATOM 0 HE1 MET B 216 -12.725 -1.051 5.268 1.00 15.00 H new ATOM 0 HE2 MET B 216 -11.829 0.375 5.843 1.00 15.00 H new ATOM 0 HE3 MET B 216 -11.371 -0.406 4.311 1.00 15.00 H new ATOM 773 N ASP B 217 -10.721 2.819 6.519 1.00 15.00 N ATOM 774 CA ASP B 217 -11.067 3.825 7.513 1.00 15.00 C ATOM 775 C ASP B 217 -11.298 3.164 8.865 1.00 15.00 C ATOM 776 O ASP B 217 -10.363 3.155 9.690 1.00 15.00 O ATOM 777 CB ASP B 217 -12.311 4.606 7.077 1.00 15.00 C ATOM 778 CG ASP B 217 -12.741 5.638 8.103 1.00 15.00 C ATOM 779 OD1 ASP B 217 -11.946 6.555 8.405 1.00 15.00 O ATOM 780 OD2 ASP B 217 -13.887 5.554 8.594 1.00 15.00 O1- ATOM 781 OXT ASP B 217 -12.401 2.618 9.085 1.00 15.00 O ATOM 0 H ASP B 217 -11.523 2.354 6.093 1.00 15.00 H new ATOM 0 HA ASP B 217 -10.238 4.527 7.604 1.00 15.00 H new ATOM 0 HB2 ASP B 217 -12.109 5.104 6.129 1.00 15.00 H new ATOM 0 HB3 ASP B 217 -13.131 3.909 6.903 1.00 15.00 H new TER 786 ASP B 217