USER MOD reduce.3.24.130724 H: found=0, std=0, add=313, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 315 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 171 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 172 THR OG1 : rot 180:sc= 0.00202 USER MOD Single : A 174 THR OG1 : rot 180:sc= 0 USER MOD Single : A 182 THR OG1 : rot 84:sc= 1.27 USER MOD Single : A 184 SER OG : rot -66:sc= 0.604 USER MOD Single : A 186 THR OG1 : rot 180:sc= -0.192 USER MOD Single : B 172 THR OG1 : rot 37:sc= 0.288 USER MOD Single : B 174 THR OG1 : rot 180:sc= 0.00986 USER MOD Single : B 182 THR OG1 : rot -80:sc= 0.579 USER MOD Single : B 184 SER OG : rot 76:sc= 0.0417 USER MOD Single : B 186 THR OG1 : rot 85:sc= 1.11 USER MOD Single : B 189 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 190 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 191 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 76 N GLN A 171 6.246 -14.240 17.368 1.00 0.00 N ATOM 77 CA GLN A 171 7.304 -13.846 16.383 1.00 0.00 C ATOM 78 C GLN A 171 8.623 -13.591 17.117 1.00 0.00 C ATOM 79 O GLN A 171 9.696 -13.936 16.611 1.00 0.00 O ATOM 80 CB GLN A 171 6.863 -12.571 15.622 1.00 0.00 C ATOM 81 CG GLN A 171 6.642 -12.867 14.130 1.00 0.00 C ATOM 82 CD GLN A 171 5.758 -11.790 13.511 1.00 0.00 C ATOM 83 OE1 GLN A 171 4.534 -11.855 13.614 1.00 0.00 O ATOM 84 NE2 GLN A 171 6.310 -10.795 12.870 1.00 0.00 N ATOM 0 HA GLN A 171 7.448 -14.654 15.665 1.00 0.00 H new ATOM 0 HB2 GLN A 171 5.943 -12.182 16.059 1.00 0.00 H new ATOM 0 HB3 GLN A 171 7.621 -11.796 15.734 1.00 0.00 H new ATOM 0 HG2 GLN A 171 7.600 -12.905 13.612 1.00 0.00 H new ATOM 0 HG3 GLN A 171 6.176 -13.845 14.010 1.00 0.00 H new ATOM 0 HE21 GLN A 171 7.325 -10.743 12.786 1.00 0.00 H new ATOM 0 HE22 GLN A 171 5.726 -10.070 12.454 1.00 0.00 H new ATOM 93 N THR A 172 8.562 -12.983 18.281 1.00 0.00 N ATOM 94 CA THR A 172 9.807 -12.679 19.058 1.00 0.00 C ATOM 95 C THR A 172 10.473 -13.975 19.516 1.00 0.00 C ATOM 96 O THR A 172 11.691 -14.133 19.388 1.00 0.00 O ATOM 97 CB THR A 172 9.468 -11.820 20.279 1.00 0.00 C ATOM 98 OG1 THR A 172 8.392 -12.416 20.990 1.00 0.00 O ATOM 99 CG2 THR A 172 9.068 -10.416 19.822 1.00 0.00 C ATOM 0 H THR A 172 7.696 -12.683 18.728 1.00 0.00 H new ATOM 0 HA THR A 172 10.494 -12.132 18.412 1.00 0.00 H new ATOM 0 HB THR A 172 10.339 -11.751 20.930 1.00 0.00 H new ATOM 0 HG1 THR A 172 8.174 -11.869 21.773 1.00 0.00 H new ATOM 0 HG21 THR A 172 8.827 -9.805 20.692 1.00 0.00 H new ATOM 0 HG22 THR A 172 9.895 -9.961 19.277 1.00 0.00 H new ATOM 0 HG23 THR A 172 8.196 -10.480 19.171 1.00 0.00 H new ATOM 107 N VAL A 173 9.708 -14.888 20.066 1.00 0.00 N ATOM 108 CA VAL A 173 10.290 -16.178 20.560 1.00 0.00 C ATOM 109 C VAL A 173 10.783 -17.033 19.391 1.00 0.00 C ATOM 110 O VAL A 173 11.856 -17.640 19.480 1.00 0.00 O ATOM 111 CB VAL A 173 9.254 -16.963 21.385 1.00 0.00 C ATOM 112 CG1 VAL A 173 8.876 -16.155 22.628 1.00 0.00 C ATOM 113 CG2 VAL A 173 7.995 -17.228 20.549 1.00 0.00 C ATOM 0 H VAL A 173 8.700 -14.795 20.195 1.00 0.00 H new ATOM 0 HA VAL A 173 11.139 -15.939 21.201 1.00 0.00 H new ATOM 0 HB VAL A 173 9.689 -17.917 21.681 1.00 0.00 H new ATOM 0 HG11 VAL A 173 8.142 -16.710 23.213 1.00 0.00 H new ATOM 0 HG12 VAL A 173 9.766 -15.980 23.233 1.00 0.00 H new ATOM 0 HG13 VAL A 173 8.450 -15.199 22.325 1.00 0.00 H new ATOM 0 HG21 VAL A 173 7.272 -17.784 21.146 1.00 0.00 H new ATOM 0 HG22 VAL A 173 7.557 -16.279 20.240 1.00 0.00 H new ATOM 0 HG23 VAL A 173 8.260 -17.810 19.666 1.00 0.00 H new ATOM 123 N THR A 174 10.024 -17.119 18.316 1.00 0.00 N ATOM 124 CA THR A 174 10.445 -17.969 17.154 1.00 0.00 C ATOM 125 C THR A 174 11.747 -17.442 16.552 1.00 0.00 C ATOM 126 O THR A 174 12.650 -18.231 16.249 1.00 0.00 O ATOM 127 CB THR A 174 9.347 -17.972 16.084 1.00 0.00 C ATOM 128 OG1 THR A 174 8.094 -18.258 16.692 1.00 0.00 O ATOM 129 CG2 THR A 174 9.652 -19.036 15.026 1.00 0.00 C ATOM 0 H THR A 174 9.133 -16.637 18.197 1.00 0.00 H new ATOM 0 HA THR A 174 10.607 -18.987 17.509 1.00 0.00 H new ATOM 0 HB THR A 174 9.310 -16.992 15.608 1.00 0.00 H new ATOM 0 HG1 THR A 174 7.391 -18.258 16.009 1.00 0.00 H new ATOM 0 HG21 THR A 174 8.867 -19.032 14.269 1.00 0.00 H new ATOM 0 HG22 THR A 174 10.611 -18.817 14.556 1.00 0.00 H new ATOM 0 HG23 THR A 174 9.695 -20.017 15.499 1.00 0.00 H new ATOM 137 N ILE A 175 11.872 -16.143 16.377 1.00 0.00 N ATOM 138 CA ILE A 175 13.133 -15.575 15.797 1.00 0.00 C ATOM 139 C ILE A 175 14.294 -15.799 16.774 1.00 0.00 C ATOM 140 O ILE A 175 15.422 -16.081 16.359 1.00 0.00 O ATOM 141 CB ILE A 175 12.957 -14.077 15.441 1.00 0.00 C ATOM 142 CG1 ILE A 175 14.147 -13.609 14.588 1.00 0.00 C ATOM 143 CG2 ILE A 175 12.865 -13.202 16.701 1.00 0.00 C ATOM 144 CD1 ILE A 175 14.000 -14.127 13.153 1.00 0.00 C ATOM 0 H ILE A 175 11.156 -15.455 16.611 1.00 0.00 H new ATOM 0 HA ILE A 175 13.364 -16.093 14.866 1.00 0.00 H new ATOM 0 HB ILE A 175 12.026 -13.973 14.884 1.00 0.00 H new ATOM 0 HG12 ILE A 175 14.198 -12.520 14.587 1.00 0.00 H new ATOM 0 HG13 ILE A 175 15.080 -13.971 15.020 1.00 0.00 H new ATOM 0 HG21 ILE A 175 12.742 -12.158 16.411 1.00 0.00 H new ATOM 0 HG22 ILE A 175 12.010 -13.515 17.300 1.00 0.00 H new ATOM 0 HG23 ILE A 175 13.778 -13.311 17.287 1.00 0.00 H new ATOM 0 HD11 ILE A 175 14.848 -13.790 12.556 1.00 0.00 H new ATOM 0 HD12 ILE A 175 13.971 -15.217 13.161 1.00 0.00 H new ATOM 0 HD13 ILE A 175 13.076 -13.743 12.720 1.00 0.00 H new ATOM 156 N PHE A 176 14.030 -15.664 18.057 1.00 0.00 N ATOM 157 CA PHE A 176 15.095 -15.846 19.092 1.00 0.00 C ATOM 158 C PHE A 176 15.555 -17.304 19.101 1.00 0.00 C ATOM 159 O PHE A 176 16.758 -17.581 19.117 1.00 0.00 O ATOM 160 CB PHE A 176 14.537 -15.475 20.478 1.00 0.00 C ATOM 161 CG PHE A 176 15.645 -14.991 21.397 1.00 0.00 C ATOM 162 CD1 PHE A 176 16.646 -15.877 21.821 1.00 0.00 C ATOM 163 CD2 PHE A 176 15.661 -13.660 21.836 1.00 0.00 C ATOM 164 CE1 PHE A 176 17.658 -15.430 22.677 1.00 0.00 C ATOM 165 CE2 PHE A 176 16.674 -13.215 22.690 1.00 0.00 C ATOM 166 CZ PHE A 176 17.672 -14.101 23.112 1.00 0.00 C ATOM 0 H PHE A 176 13.110 -15.433 18.431 1.00 0.00 H new ATOM 0 HA PHE A 176 15.941 -15.200 18.857 1.00 0.00 H new ATOM 0 HB2 PHE A 176 13.780 -14.697 20.373 1.00 0.00 H new ATOM 0 HB3 PHE A 176 14.045 -16.341 20.920 1.00 0.00 H new ATOM 0 HD1 PHE A 176 16.636 -16.904 21.487 1.00 0.00 H new ATOM 0 HD2 PHE A 176 14.889 -12.977 21.514 1.00 0.00 H new ATOM 0 HE1 PHE A 176 18.430 -16.112 23.002 1.00 0.00 H new ATOM 0 HE2 PHE A 176 16.687 -12.188 23.024 1.00 0.00 H new ATOM 0 HZ PHE A 176 18.453 -13.758 23.774 1.00 0.00 H new ATOM 176 N VAL A 177 14.623 -18.235 19.103 1.00 0.00 N ATOM 177 CA VAL A 177 14.985 -19.688 19.126 1.00 0.00 C ATOM 178 C VAL A 177 15.667 -20.074 17.809 1.00 0.00 C ATOM 179 O VAL A 177 16.623 -20.855 17.814 1.00 0.00 O ATOM 180 CB VAL A 177 13.725 -20.547 19.385 1.00 0.00 C ATOM 181 CG1 VAL A 177 14.069 -22.044 19.339 1.00 0.00 C ATOM 182 CG2 VAL A 177 13.176 -20.216 20.774 1.00 0.00 C ATOM 0 H VAL A 177 13.621 -18.045 19.090 1.00 0.00 H new ATOM 0 HA VAL A 177 15.687 -19.875 19.938 1.00 0.00 H new ATOM 0 HB VAL A 177 12.987 -20.327 18.613 1.00 0.00 H new ATOM 0 HG11 VAL A 177 13.169 -22.630 19.524 1.00 0.00 H new ATOM 0 HG12 VAL A 177 14.470 -22.295 18.357 1.00 0.00 H new ATOM 0 HG13 VAL A 177 14.812 -22.270 20.103 1.00 0.00 H new ATOM 0 HG21 VAL A 177 12.287 -20.817 20.966 1.00 0.00 H new ATOM 0 HG22 VAL A 177 13.933 -20.437 21.527 1.00 0.00 H new ATOM 0 HG23 VAL A 177 12.916 -19.158 20.820 1.00 0.00 H new ATOM 192 N ALA A 178 15.195 -19.561 16.693 1.00 0.00 N ATOM 193 CA ALA A 178 15.808 -19.912 15.373 1.00 0.00 C ATOM 194 C ALA A 178 17.278 -19.494 15.357 1.00 0.00 C ATOM 195 O ALA A 178 18.127 -20.219 14.829 1.00 0.00 O ATOM 196 CB ALA A 178 15.056 -19.213 14.240 1.00 0.00 C ATOM 0 H ALA A 178 14.409 -18.913 16.643 1.00 0.00 H new ATOM 0 HA ALA A 178 15.740 -20.990 15.228 1.00 0.00 H new ATOM 0 HB1 ALA A 178 15.511 -19.476 13.285 1.00 0.00 H new ATOM 0 HB2 ALA A 178 14.013 -19.531 14.245 1.00 0.00 H new ATOM 0 HB3 ALA A 178 15.107 -18.133 14.381 1.00 0.00 H new ATOM 202 N GLY A 179 17.591 -18.344 15.918 1.00 0.00 N ATOM 203 CA GLY A 179 19.011 -17.864 15.937 1.00 0.00 C ATOM 204 C GLY A 179 19.845 -18.766 16.845 1.00 0.00 C ATOM 205 O GLY A 179 20.985 -19.105 16.510 1.00 0.00 O ATOM 0 H GLY A 179 16.920 -17.718 16.364 1.00 0.00 H new ATOM 0 HA2 GLY A 179 19.421 -17.869 14.927 1.00 0.00 H new ATOM 0 HA3 GLY A 179 19.053 -16.835 16.293 1.00 0.00 H new ATOM 209 N VAL A 180 19.301 -19.165 17.978 1.00 0.00 N ATOM 210 CA VAL A 180 20.053 -20.057 18.918 1.00 0.00 C ATOM 211 C VAL A 180 20.237 -21.423 18.252 1.00 0.00 C ATOM 212 O VAL A 180 21.302 -22.038 18.360 1.00 0.00 O ATOM 213 CB VAL A 180 19.279 -20.213 20.245 1.00 0.00 C ATOM 214 CG1 VAL A 180 20.065 -21.098 21.223 1.00 0.00 C ATOM 215 CG2 VAL A 180 19.064 -18.836 20.886 1.00 0.00 C ATOM 0 H VAL A 180 18.364 -18.908 18.289 1.00 0.00 H new ATOM 0 HA VAL A 180 21.026 -19.619 19.142 1.00 0.00 H new ATOM 0 HB VAL A 180 18.317 -20.678 20.030 1.00 0.00 H new ATOM 0 HG11 VAL A 180 19.506 -21.198 22.153 1.00 0.00 H new ATOM 0 HG12 VAL A 180 20.215 -22.084 20.782 1.00 0.00 H new ATOM 0 HG13 VAL A 180 21.033 -20.642 21.429 1.00 0.00 H new ATOM 0 HG21 VAL A 180 18.517 -18.952 21.822 1.00 0.00 H new ATOM 0 HG22 VAL A 180 20.030 -18.372 21.085 1.00 0.00 H new ATOM 0 HG23 VAL A 180 18.491 -18.204 20.207 1.00 0.00 H new ATOM 225 N LEU A 181 19.214 -21.904 17.583 1.00 0.00 N ATOM 226 CA LEU A 181 19.287 -23.235 16.909 1.00 0.00 C ATOM 227 C LEU A 181 20.368 -23.201 15.831 1.00 0.00 C ATOM 228 O LEU A 181 21.153 -24.142 15.698 1.00 0.00 O ATOM 229 CB LEU A 181 17.929 -23.547 16.253 1.00 0.00 C ATOM 230 CG LEU A 181 17.651 -25.077 16.243 1.00 0.00 C ATOM 231 CD1 LEU A 181 16.753 -25.453 17.430 1.00 0.00 C ATOM 232 CD2 LEU A 181 16.946 -25.475 14.940 1.00 0.00 C ATOM 0 H LEU A 181 18.322 -21.422 17.476 1.00 0.00 H new ATOM 0 HA LEU A 181 19.528 -24.003 17.644 1.00 0.00 H new ATOM 0 HB2 LEU A 181 17.134 -23.033 16.793 1.00 0.00 H new ATOM 0 HB3 LEU A 181 17.919 -23.166 15.232 1.00 0.00 H new ATOM 0 HG LEU A 181 18.602 -25.604 16.320 1.00 0.00 H new ATOM 0 HD11 LEU A 181 16.562 -26.526 17.417 1.00 0.00 H new ATOM 0 HD12 LEU A 181 17.250 -25.184 18.362 1.00 0.00 H new ATOM 0 HD13 LEU A 181 15.808 -24.916 17.355 1.00 0.00 H new ATOM 0 HD21 LEU A 181 16.756 -26.548 14.942 1.00 0.00 H new ATOM 0 HD22 LEU A 181 16.000 -24.939 14.860 1.00 0.00 H new ATOM 0 HD23 LEU A 181 17.580 -25.221 14.091 1.00 0.00 H new ATOM 244 N THR A 182 20.413 -22.140 15.063 1.00 0.00 N ATOM 245 CA THR A 182 21.426 -22.019 13.970 1.00 0.00 C ATOM 246 C THR A 182 22.835 -22.077 14.557 1.00 0.00 C ATOM 247 O THR A 182 23.705 -22.786 14.034 1.00 0.00 O ATOM 248 CB THR A 182 21.221 -20.698 13.222 1.00 0.00 C ATOM 249 OG1 THR A 182 19.852 -20.569 12.865 1.00 0.00 O ATOM 250 CG2 THR A 182 22.083 -20.674 11.958 1.00 0.00 C ATOM 0 H THR A 182 19.782 -21.343 15.149 1.00 0.00 H new ATOM 0 HA THR A 182 21.302 -22.847 13.272 1.00 0.00 H new ATOM 0 HB THR A 182 21.513 -19.870 13.868 1.00 0.00 H new ATOM 0 HG1 THR A 182 19.350 -20.198 13.621 1.00 0.00 H new ATOM 0 HG21 THR A 182 21.931 -19.731 11.432 1.00 0.00 H new ATOM 0 HG22 THR A 182 23.133 -20.772 12.232 1.00 0.00 H new ATOM 0 HG23 THR A 182 21.799 -21.502 11.308 1.00 0.00 H new ATOM 258 N ALA A 183 23.078 -21.342 15.619 1.00 0.00 N ATOM 259 CA ALA A 183 24.438 -21.330 16.244 1.00 0.00 C ATOM 260 C ALA A 183 24.722 -22.659 16.939 1.00 0.00 C ATOM 261 O ALA A 183 25.884 -23.075 17.027 1.00 0.00 O ATOM 262 CB ALA A 183 24.557 -20.181 17.248 1.00 0.00 C ATOM 0 H ALA A 183 22.389 -20.748 16.080 1.00 0.00 H new ATOM 0 HA ALA A 183 25.173 -21.184 15.453 1.00 0.00 H new ATOM 0 HB1 ALA A 183 25.552 -20.188 17.692 1.00 0.00 H new ATOM 0 HB2 ALA A 183 24.395 -19.232 16.736 1.00 0.00 H new ATOM 0 HB3 ALA A 183 23.809 -20.303 18.031 1.00 0.00 H new ATOM 268 N SER A 184 23.704 -23.327 17.433 1.00 0.00 N ATOM 269 CA SER A 184 23.921 -24.633 18.125 1.00 0.00 C ATOM 270 C SER A 184 24.535 -25.614 17.132 1.00 0.00 C ATOM 271 O SER A 184 25.463 -26.356 17.464 1.00 0.00 O ATOM 272 CB SER A 184 22.593 -25.185 18.643 1.00 0.00 C ATOM 273 OG SER A 184 21.828 -25.679 17.553 1.00 0.00 O ATOM 0 H SER A 184 22.732 -23.021 17.385 1.00 0.00 H new ATOM 0 HA SER A 184 24.590 -24.491 18.974 1.00 0.00 H new ATOM 0 HB2 SER A 184 22.775 -25.982 19.364 1.00 0.00 H new ATOM 0 HB3 SER A 184 22.040 -24.403 19.164 1.00 0.00 H new ATOM 0 HG SER A 184 21.569 -24.934 16.971 1.00 0.00 H new ATOM 279 N LEU A 185 24.015 -25.634 15.928 1.00 0.00 N ATOM 280 CA LEU A 185 24.520 -26.568 14.872 1.00 0.00 C ATOM 281 C LEU A 185 25.974 -26.253 14.502 1.00 0.00 C ATOM 282 O LEU A 185 26.788 -27.172 14.363 1.00 0.00 O ATOM 283 CB LEU A 185 23.634 -26.457 13.606 1.00 0.00 C ATOM 284 CG LEU A 185 22.406 -27.401 13.639 1.00 0.00 C ATOM 285 CD1 LEU A 185 22.842 -28.873 13.687 1.00 0.00 C ATOM 286 CD2 LEU A 185 21.501 -27.092 14.840 1.00 0.00 C ATOM 0 H LEU A 185 23.249 -25.032 15.628 1.00 0.00 H new ATOM 0 HA LEU A 185 24.476 -27.582 15.270 1.00 0.00 H new ATOM 0 HB2 LEU A 185 23.291 -25.428 13.499 1.00 0.00 H new ATOM 0 HB3 LEU A 185 24.237 -26.685 12.727 1.00 0.00 H new ATOM 0 HG LEU A 185 21.842 -27.230 12.722 1.00 0.00 H new ATOM 0 HD11 LEU A 185 21.960 -29.513 13.709 1.00 0.00 H new ATOM 0 HD12 LEU A 185 23.437 -29.105 12.804 1.00 0.00 H new ATOM 0 HD13 LEU A 185 23.439 -29.047 14.582 1.00 0.00 H new ATOM 0 HD21 LEU A 185 20.648 -27.770 14.837 1.00 0.00 H new ATOM 0 HD22 LEU A 185 22.065 -27.223 15.764 1.00 0.00 H new ATOM 0 HD23 LEU A 185 21.147 -26.063 14.774 1.00 0.00 H new ATOM 298 N THR A 186 26.309 -24.991 14.310 1.00 0.00 N ATOM 299 CA THR A 186 27.709 -24.624 13.908 1.00 0.00 C ATOM 300 C THR A 186 28.690 -24.896 15.042 1.00 0.00 C ATOM 301 O THR A 186 29.761 -25.471 14.817 1.00 0.00 O ATOM 302 CB THR A 186 27.778 -23.139 13.538 1.00 0.00 C ATOM 303 OG1 THR A 186 27.034 -22.384 14.484 1.00 0.00 O ATOM 304 CG2 THR A 186 27.197 -22.921 12.142 1.00 0.00 C ATOM 0 H THR A 186 25.671 -24.202 14.415 1.00 0.00 H new ATOM 0 HA THR A 186 27.981 -25.235 13.047 1.00 0.00 H new ATOM 0 HB THR A 186 28.819 -22.815 13.545 1.00 0.00 H new ATOM 0 HG1 THR A 186 27.078 -21.433 14.251 1.00 0.00 H new ATOM 0 HG21 THR A 186 27.250 -21.863 11.887 1.00 0.00 H new ATOM 0 HG22 THR A 186 27.769 -23.498 11.416 1.00 0.00 H new ATOM 0 HG23 THR A 186 26.157 -23.246 12.126 1.00 0.00 H new ATOM 312 N ILE A 187 28.363 -24.473 16.238 1.00 0.00 N ATOM 313 CA ILE A 187 29.287 -24.671 17.399 1.00 0.00 C ATOM 314 C ILE A 187 29.441 -26.165 17.690 1.00 0.00 C ATOM 315 O ILE A 187 30.554 -26.639 17.943 1.00 0.00 O ATOM 316 CB ILE A 187 28.758 -23.945 18.654 1.00 0.00 C ATOM 317 CG1 ILE A 187 28.538 -22.454 18.345 1.00 0.00 C ATOM 318 CG2 ILE A 187 29.770 -24.077 19.805 1.00 0.00 C ATOM 319 CD1 ILE A 187 27.652 -21.829 19.427 1.00 0.00 C ATOM 0 H ILE A 187 27.490 -23.996 16.462 1.00 0.00 H new ATOM 0 HA ILE A 187 30.258 -24.248 17.142 1.00 0.00 H new ATOM 0 HB ILE A 187 27.812 -24.400 18.947 1.00 0.00 H new ATOM 0 HG12 ILE A 187 29.496 -21.936 18.302 1.00 0.00 H new ATOM 0 HG13 ILE A 187 28.070 -22.340 17.367 1.00 0.00 H new ATOM 0 HG21 ILE A 187 29.388 -23.562 20.686 1.00 0.00 H new ATOM 0 HG22 ILE A 187 29.921 -25.131 20.038 1.00 0.00 H new ATOM 0 HG23 ILE A 187 30.719 -23.632 19.507 1.00 0.00 H new ATOM 0 HD11 ILE A 187 27.498 -20.773 19.206 1.00 0.00 H new ATOM 0 HD12 ILE A 187 26.689 -22.340 19.449 1.00 0.00 H new ATOM 0 HD13 ILE A 187 28.138 -21.929 20.398 1.00 0.00 H new ATOM 331 N TRP A 188 28.353 -26.902 17.686 1.00 0.00 N ATOM 332 CA TRP A 188 28.420 -28.365 17.990 1.00 0.00 C ATOM 333 C TRP A 188 29.322 -29.068 16.980 1.00 0.00 C ATOM 334 O TRP A 188 30.144 -29.909 17.360 1.00 0.00 O ATOM 335 CB TRP A 188 27.014 -28.984 17.949 1.00 0.00 C ATOM 336 CG TRP A 188 26.983 -30.248 18.756 1.00 0.00 C ATOM 337 CD1 TRP A 188 26.406 -30.375 19.972 1.00 0.00 C ATOM 338 CD2 TRP A 188 27.537 -31.556 18.427 1.00 0.00 C ATOM 339 NE1 TRP A 188 26.571 -31.675 20.414 1.00 0.00 N ATOM 340 CE2 TRP A 188 27.262 -32.442 19.497 1.00 0.00 C ATOM 341 CE3 TRP A 188 28.244 -32.054 17.319 1.00 0.00 C ATOM 342 CZ2 TRP A 188 27.676 -33.776 19.467 1.00 0.00 C ATOM 343 CZ3 TRP A 188 28.661 -33.395 17.284 1.00 0.00 C ATOM 344 CH2 TRP A 188 28.379 -34.254 18.356 1.00 0.00 C ATOM 0 H TRP A 188 27.418 -26.549 17.484 1.00 0.00 H new ATOM 0 HA TRP A 188 28.833 -28.493 18.990 1.00 0.00 H new ATOM 0 HB2 TRP A 188 26.285 -28.275 18.341 1.00 0.00 H new ATOM 0 HB3 TRP A 188 26.731 -29.195 16.918 1.00 0.00 H new ATOM 0 HD1 TRP A 188 25.898 -29.589 20.511 1.00 0.00 H new ATOM 0 HE1 TRP A 188 26.225 -32.024 21.308 1.00 0.00 H new ATOM 0 HE3 TRP A 188 28.468 -31.401 16.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 188 27.455 -34.433 20.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 188 29.202 -33.767 16.426 1.00 0.00 H new ATOM 0 HH2 TRP A 188 28.704 -35.283 18.324 1.00 0.00 H new ATOM 517 N THR B 172 15.031 -6.077 15.411 1.00 0.00 N ATOM 518 CA THR B 172 15.033 -7.493 14.927 1.00 0.00 C ATOM 519 C THR B 172 16.473 -7.975 14.792 1.00 0.00 C ATOM 520 O THR B 172 16.786 -9.129 15.100 1.00 0.00 O ATOM 521 CB THR B 172 14.324 -7.591 13.574 1.00 0.00 C ATOM 522 OG1 THR B 172 13.083 -6.903 13.642 1.00 0.00 O ATOM 523 CG2 THR B 172 14.075 -9.060 13.233 1.00 0.00 C ATOM 0 HA THR B 172 14.502 -8.119 15.645 1.00 0.00 H new ATOM 0 HB THR B 172 14.948 -7.141 12.802 1.00 0.00 H new ATOM 0 HG1 THR B 172 13.183 -6.102 14.197 1.00 0.00 H new ATOM 0 HG21 THR B 172 13.570 -9.129 12.269 1.00 0.00 H new ATOM 0 HG22 THR B 172 15.027 -9.588 13.183 1.00 0.00 H new ATOM 0 HG23 THR B 172 13.450 -9.511 14.003 1.00 0.00 H new ATOM 531 N VAL B 173 17.347 -7.118 14.325 1.00 0.00 N ATOM 532 CA VAL B 173 18.784 -7.499 14.151 1.00 0.00 C ATOM 533 C VAL B 173 19.413 -7.701 15.527 1.00 0.00 C ATOM 534 O VAL B 173 20.164 -8.655 15.745 1.00 0.00 O ATOM 535 CB VAL B 173 19.570 -6.404 13.396 1.00 0.00 C ATOM 536 CG1 VAL B 173 20.894 -6.982 12.897 1.00 0.00 C ATOM 537 CG2 VAL B 173 18.772 -5.885 12.189 1.00 0.00 C ATOM 0 H VAL B 173 17.124 -6.160 14.054 1.00 0.00 H new ATOM 0 HA VAL B 173 18.827 -8.418 13.566 1.00 0.00 H new ATOM 0 HB VAL B 173 19.748 -5.577 14.083 1.00 0.00 H new ATOM 0 HG11 VAL B 173 21.450 -6.211 12.364 1.00 0.00 H new ATOM 0 HG12 VAL B 173 21.481 -7.331 13.746 1.00 0.00 H new ATOM 0 HG13 VAL B 173 20.696 -7.817 12.225 1.00 0.00 H new ATOM 0 HG21 VAL B 173 19.348 -5.115 11.676 1.00 0.00 H new ATOM 0 HG22 VAL B 173 18.574 -6.708 11.503 1.00 0.00 H new ATOM 0 HG23 VAL B 173 17.827 -5.463 12.532 1.00 0.00 H new ATOM 547 N THR B 174 19.138 -6.800 16.447 1.00 0.00 N ATOM 548 CA THR B 174 19.733 -6.887 17.820 1.00 0.00 C ATOM 549 C THR B 174 19.239 -8.125 18.569 1.00 0.00 C ATOM 550 O THR B 174 20.035 -8.799 19.231 1.00 0.00 O ATOM 551 CB THR B 174 19.371 -5.631 18.621 1.00 0.00 C ATOM 552 OG1 THR B 174 17.980 -5.372 18.487 1.00 0.00 O ATOM 553 CG2 THR B 174 20.168 -4.436 18.093 1.00 0.00 C ATOM 0 H THR B 174 18.520 -6.001 16.301 1.00 0.00 H new ATOM 0 HA THR B 174 20.815 -6.964 17.711 1.00 0.00 H new ATOM 0 HB THR B 174 19.613 -5.788 19.672 1.00 0.00 H new ATOM 0 HG1 THR B 174 17.746 -4.570 19.000 1.00 0.00 H new ATOM 0 HG21 THR B 174 19.909 -3.545 18.664 1.00 0.00 H new ATOM 0 HG22 THR B 174 21.235 -4.636 18.196 1.00 0.00 H new ATOM 0 HG23 THR B 174 19.929 -4.275 17.042 1.00 0.00 H new ATOM 561 N ILE B 175 17.957 -8.432 18.503 1.00 0.00 N ATOM 562 CA ILE B 175 17.431 -9.625 19.244 1.00 0.00 C ATOM 563 C ILE B 175 18.019 -10.909 18.642 1.00 0.00 C ATOM 564 O ILE B 175 18.381 -11.835 19.375 1.00 0.00 O ATOM 565 CB ILE B 175 15.878 -9.635 19.241 1.00 0.00 C ATOM 566 CG1 ILE B 175 15.371 -10.591 20.336 1.00 0.00 C ATOM 567 CG2 ILE B 175 15.315 -10.074 17.877 1.00 0.00 C ATOM 568 CD1 ILE B 175 13.895 -10.303 20.654 1.00 0.00 C ATOM 0 H ILE B 175 17.261 -7.910 17.971 1.00 0.00 H new ATOM 0 HA ILE B 175 17.744 -9.569 20.287 1.00 0.00 H new ATOM 0 HB ILE B 175 15.534 -8.619 19.436 1.00 0.00 H new ATOM 0 HG12 ILE B 175 15.484 -11.624 20.007 1.00 0.00 H new ATOM 0 HG13 ILE B 175 15.973 -10.475 21.237 1.00 0.00 H new ATOM 0 HG21 ILE B 175 14.226 -10.068 17.914 1.00 0.00 H new ATOM 0 HG22 ILE B 175 15.655 -9.385 17.104 1.00 0.00 H new ATOM 0 HG23 ILE B 175 15.665 -11.080 17.646 1.00 0.00 H new ATOM 0 HD11 ILE B 175 13.550 -10.986 21.430 1.00 0.00 H new ATOM 0 HD12 ILE B 175 13.792 -9.276 21.003 1.00 0.00 H new ATOM 0 HD13 ILE B 175 13.295 -10.442 19.755 1.00 0.00 H new ATOM 580 N PHE B 176 18.114 -10.973 17.331 1.00 0.00 N ATOM 581 CA PHE B 176 18.675 -12.189 16.659 1.00 0.00 C ATOM 582 C PHE B 176 20.145 -12.345 17.050 1.00 0.00 C ATOM 583 O PHE B 176 20.591 -13.444 17.398 1.00 0.00 O ATOM 584 CB PHE B 176 18.564 -12.048 15.130 1.00 0.00 C ATOM 585 CG PHE B 176 18.570 -13.417 14.462 1.00 0.00 C ATOM 586 CD1 PHE B 176 19.706 -14.240 14.540 1.00 0.00 C ATOM 587 CD2 PHE B 176 17.442 -13.856 13.757 1.00 0.00 C ATOM 588 CE1 PHE B 176 19.706 -15.494 13.918 1.00 0.00 C ATOM 589 CE2 PHE B 176 17.444 -15.111 13.136 1.00 0.00 C ATOM 590 CZ PHE B 176 18.577 -15.929 13.218 1.00 0.00 C ATOM 0 H PHE B 176 17.824 -10.229 16.696 1.00 0.00 H new ATOM 0 HA PHE B 176 18.111 -13.066 16.976 1.00 0.00 H new ATOM 0 HB2 PHE B 176 17.647 -11.517 14.874 1.00 0.00 H new ATOM 0 HB3 PHE B 176 19.394 -11.450 14.754 1.00 0.00 H new ATOM 0 HD1 PHE B 176 20.579 -13.905 15.080 1.00 0.00 H new ATOM 0 HD2 PHE B 176 16.568 -13.225 13.692 1.00 0.00 H new ATOM 0 HE1 PHE B 176 20.579 -16.126 13.979 1.00 0.00 H new ATOM 0 HE2 PHE B 176 16.572 -15.448 12.594 1.00 0.00 H new ATOM 0 HZ PHE B 176 18.579 -16.897 12.740 1.00 0.00 H new ATOM 600 N VAL B 177 20.903 -11.268 16.991 1.00 0.00 N ATOM 601 CA VAL B 177 22.359 -11.325 17.346 1.00 0.00 C ATOM 602 C VAL B 177 22.505 -11.614 18.843 1.00 0.00 C ATOM 603 O VAL B 177 23.387 -12.381 19.243 1.00 0.00 O ATOM 604 CB VAL B 177 23.053 -9.998 16.962 1.00 0.00 C ATOM 605 CG1 VAL B 177 24.542 -10.039 17.338 1.00 0.00 C ATOM 606 CG2 VAL B 177 22.931 -9.779 15.446 1.00 0.00 C ATOM 0 H VAL B 177 20.569 -10.346 16.709 1.00 0.00 H new ATOM 0 HA VAL B 177 22.842 -12.127 16.788 1.00 0.00 H new ATOM 0 HB VAL B 177 22.570 -9.184 17.503 1.00 0.00 H new ATOM 0 HG11 VAL B 177 25.014 -9.096 17.060 1.00 0.00 H new ATOM 0 HG12 VAL B 177 24.642 -10.192 18.413 1.00 0.00 H new ATOM 0 HG13 VAL B 177 25.029 -10.858 16.808 1.00 0.00 H new ATOM 0 HG21 VAL B 177 23.420 -8.844 15.173 1.00 0.00 H new ATOM 0 HG22 VAL B 177 23.409 -10.605 14.919 1.00 0.00 H new ATOM 0 HG23 VAL B 177 21.878 -9.732 15.169 1.00 0.00 H new ATOM 616 N ALA B 178 21.670 -11.020 19.669 1.00 0.00 N ATOM 617 CA ALA B 178 21.761 -11.255 21.144 1.00 0.00 C ATOM 618 C ALA B 178 21.557 -12.738 21.428 1.00 0.00 C ATOM 619 O ALA B 178 22.248 -13.310 22.274 1.00 0.00 O ATOM 620 CB ALA B 178 20.701 -10.432 21.878 1.00 0.00 C ATOM 0 H ALA B 178 20.929 -10.381 19.381 1.00 0.00 H new ATOM 0 HA ALA B 178 22.745 -10.947 21.498 1.00 0.00 H new ATOM 0 HB1 ALA B 178 20.778 -10.612 22.950 1.00 0.00 H new ATOM 0 HB2 ALA B 178 20.859 -9.373 21.676 1.00 0.00 H new ATOM 0 HB3 ALA B 178 19.710 -10.724 21.532 1.00 0.00 H new ATOM 626 N GLY B 179 20.634 -13.368 20.731 1.00 0.00 N ATOM 627 CA GLY B 179 20.378 -14.827 20.944 1.00 0.00 C ATOM 628 C GLY B 179 21.625 -15.625 20.574 1.00 0.00 C ATOM 629 O GLY B 179 21.964 -16.602 21.252 1.00 0.00 O ATOM 0 H GLY B 179 20.047 -12.929 20.022 1.00 0.00 H new ATOM 0 HA2 GLY B 179 20.111 -15.012 21.985 1.00 0.00 H new ATOM 0 HA3 GLY B 179 19.533 -15.151 20.336 1.00 0.00 H new ATOM 633 N VAL B 180 22.317 -15.226 19.526 1.00 0.00 N ATOM 634 CA VAL B 180 23.559 -15.954 19.110 1.00 0.00 C ATOM 635 C VAL B 180 24.627 -15.741 20.187 1.00 0.00 C ATOM 636 O VAL B 180 25.357 -16.671 20.543 1.00 0.00 O ATOM 637 CB VAL B 180 24.059 -15.432 17.748 1.00 0.00 C ATOM 638 CG1 VAL B 180 25.309 -16.205 17.306 1.00 0.00 C ATOM 639 CG2 VAL B 180 22.965 -15.616 16.688 1.00 0.00 C ATOM 0 H VAL B 180 22.072 -14.426 18.942 1.00 0.00 H new ATOM 0 HA VAL B 180 23.346 -17.018 19.002 1.00 0.00 H new ATOM 0 HB VAL B 180 24.304 -14.375 17.853 1.00 0.00 H new ATOM 0 HG11 VAL B 180 25.650 -15.825 16.343 1.00 0.00 H new ATOM 0 HG12 VAL B 180 26.098 -16.076 18.047 1.00 0.00 H new ATOM 0 HG13 VAL B 180 25.068 -17.264 17.214 1.00 0.00 H new ATOM 0 HG21 VAL B 180 23.323 -15.246 15.727 1.00 0.00 H new ATOM 0 HG22 VAL B 180 22.718 -16.674 16.600 1.00 0.00 H new ATOM 0 HG23 VAL B 180 22.075 -15.059 16.983 1.00 0.00 H new ATOM 649 N LEU B 181 24.729 -14.534 20.699 1.00 0.00 N ATOM 650 CA LEU B 181 25.745 -14.223 21.751 1.00 0.00 C ATOM 651 C LEU B 181 25.441 -15.031 23.013 1.00 0.00 C ATOM 652 O LEU B 181 26.354 -15.592 23.626 1.00 0.00 O ATOM 653 CB LEU B 181 25.723 -12.719 22.055 1.00 0.00 C ATOM 654 CG LEU B 181 26.939 -12.322 22.924 1.00 0.00 C ATOM 655 CD1 LEU B 181 27.293 -10.850 22.675 1.00 0.00 C ATOM 656 CD2 LEU B 181 26.607 -12.513 24.414 1.00 0.00 C ATOM 0 H LEU B 181 24.143 -13.745 20.427 1.00 0.00 H new ATOM 0 HA LEU B 181 26.739 -14.494 21.395 1.00 0.00 H new ATOM 0 HB2 LEU B 181 25.735 -12.154 21.123 1.00 0.00 H new ATOM 0 HB3 LEU B 181 24.799 -12.460 22.573 1.00 0.00 H new ATOM 0 HG LEU B 181 27.784 -12.956 22.656 1.00 0.00 H new ATOM 0 HD11 LEU B 181 28.150 -10.573 23.289 1.00 0.00 H new ATOM 0 HD12 LEU B 181 27.539 -10.708 21.623 1.00 0.00 H new ATOM 0 HD13 LEU B 181 26.442 -10.222 22.936 1.00 0.00 H new ATOM 0 HD21 LEU B 181 27.469 -12.231 25.018 1.00 0.00 H new ATOM 0 HD22 LEU B 181 25.756 -11.886 24.681 1.00 0.00 H new ATOM 0 HD23 LEU B 181 26.360 -13.558 24.601 1.00 0.00 H new ATOM 668 N THR B 182 24.185 -15.111 23.405 1.00 0.00 N ATOM 669 CA THR B 182 23.813 -15.891 24.633 1.00 0.00 C ATOM 670 C THR B 182 24.113 -17.368 24.398 1.00 0.00 C ATOM 671 O THR B 182 24.662 -18.043 25.274 1.00 0.00 O ATOM 672 CB THR B 182 22.314 -15.720 24.952 1.00 0.00 C ATOM 673 OG1 THR B 182 21.596 -15.469 23.748 1.00 0.00 O ATOM 674 CG2 THR B 182 22.104 -14.555 25.933 1.00 0.00 C ATOM 0 H THR B 182 23.402 -14.668 22.925 1.00 0.00 H new ATOM 0 HA THR B 182 24.395 -15.518 25.476 1.00 0.00 H new ATOM 0 HB THR B 182 21.945 -16.636 25.413 1.00 0.00 H new ATOM 0 HG1 THR B 182 21.688 -14.525 23.503 1.00 0.00 H new ATOM 0 HG21 THR B 182 21.041 -14.447 26.148 1.00 0.00 H new ATOM 0 HG22 THR B 182 22.643 -14.757 26.859 1.00 0.00 H new ATOM 0 HG23 THR B 182 22.479 -13.633 25.489 1.00 0.00 H new ATOM 682 N ALA B 183 23.755 -17.875 23.242 1.00 0.00 N ATOM 683 CA ALA B 183 23.999 -19.318 22.928 1.00 0.00 C ATOM 684 C ALA B 183 25.490 -19.625 23.049 1.00 0.00 C ATOM 685 O ALA B 183 25.867 -20.714 23.495 1.00 0.00 O ATOM 686 CB ALA B 183 23.526 -19.631 21.506 1.00 0.00 C ATOM 0 H ALA B 183 23.301 -17.346 22.497 1.00 0.00 H new ATOM 0 HA ALA B 183 23.442 -19.934 23.634 1.00 0.00 H new ATOM 0 HB1 ALA B 183 23.707 -20.683 21.286 1.00 0.00 H new ATOM 0 HB2 ALA B 183 22.460 -19.421 21.423 1.00 0.00 H new ATOM 0 HB3 ALA B 183 24.074 -19.012 20.796 1.00 0.00 H new ATOM 692 N SER B 184 26.338 -18.695 22.669 1.00 0.00 N ATOM 693 CA SER B 184 27.813 -18.920 22.761 1.00 0.00 C ATOM 694 C SER B 184 28.211 -19.047 24.231 1.00 0.00 C ATOM 695 O SER B 184 28.928 -19.976 24.613 1.00 0.00 O ATOM 696 CB SER B 184 28.561 -17.749 22.124 1.00 0.00 C ATOM 697 OG SER B 184 28.398 -17.801 20.714 1.00 0.00 O ATOM 0 H SER B 184 26.066 -17.785 22.297 1.00 0.00 H new ATOM 0 HA SER B 184 28.073 -19.836 22.230 1.00 0.00 H new ATOM 0 HB2 SER B 184 28.179 -16.804 22.511 1.00 0.00 H new ATOM 0 HB3 SER B 184 29.619 -17.795 22.382 1.00 0.00 H new ATOM 0 HG SER B 184 27.501 -17.485 20.476 1.00 0.00 H new ATOM 703 N LEU B 185 27.769 -18.119 25.049 1.00 0.00 N ATOM 704 CA LEU B 185 28.119 -18.136 26.510 1.00 0.00 C ATOM 705 C LEU B 185 27.530 -19.371 27.198 1.00 0.00 C ATOM 706 O LEU B 185 28.185 -19.974 28.055 1.00 0.00 O ATOM 707 CB LEU B 185 27.617 -16.856 27.219 1.00 0.00 C ATOM 708 CG LEU B 185 28.059 -15.594 26.458 1.00 0.00 C ATOM 709 CD1 LEU B 185 27.366 -14.371 27.061 1.00 0.00 C ATOM 710 CD2 LEU B 185 29.576 -15.416 26.571 1.00 0.00 C ATOM 0 H LEU B 185 27.174 -17.341 24.764 1.00 0.00 H new ATOM 0 HA LEU B 185 29.206 -18.173 26.585 1.00 0.00 H new ATOM 0 HB2 LEU B 185 26.530 -16.879 27.292 1.00 0.00 H new ATOM 0 HB3 LEU B 185 28.004 -16.825 28.238 1.00 0.00 H new ATOM 0 HG LEU B 185 27.786 -15.698 25.408 1.00 0.00 H new ATOM 0 HD11 LEU B 185 27.677 -13.475 26.524 1.00 0.00 H new ATOM 0 HD12 LEU B 185 26.285 -14.487 26.978 1.00 0.00 H new ATOM 0 HD13 LEU B 185 27.641 -14.278 28.112 1.00 0.00 H new ATOM 0 HD21 LEU B 185 29.879 -14.520 26.029 1.00 0.00 H new ATOM 0 HD22 LEU B 185 29.853 -15.316 27.620 1.00 0.00 H new ATOM 0 HD23 LEU B 185 30.077 -16.285 26.144 1.00 0.00 H new ATOM 722 N THR B 186 26.309 -19.741 26.868 1.00 0.00 N ATOM 723 CA THR B 186 25.658 -20.923 27.529 1.00 0.00 C ATOM 724 C THR B 186 26.446 -22.195 27.220 1.00 0.00 C ATOM 725 O THR B 186 26.730 -22.989 28.124 1.00 0.00 O ATOM 726 CB THR B 186 24.214 -21.075 27.028 1.00 0.00 C ATOM 727 OG1 THR B 186 23.629 -19.788 26.887 1.00 0.00 O ATOM 728 CG2 THR B 186 23.391 -21.897 28.028 1.00 0.00 C ATOM 0 H THR B 186 25.735 -19.273 26.167 1.00 0.00 H new ATOM 0 HA THR B 186 25.648 -20.762 28.607 1.00 0.00 H new ATOM 0 HB THR B 186 24.223 -21.588 26.066 1.00 0.00 H new ATOM 0 HG1 THR B 186 23.861 -19.418 26.010 1.00 0.00 H new ATOM 0 HG21 THR B 186 22.369 -21.998 27.662 1.00 0.00 H new ATOM 0 HG22 THR B 186 23.836 -22.886 28.140 1.00 0.00 H new ATOM 0 HG23 THR B 186 23.382 -21.392 28.994 1.00 0.00 H new ATOM 736 N ILE B 187 26.796 -22.406 25.970 1.00 0.00 N ATOM 737 CA ILE B 187 27.568 -23.632 25.582 1.00 0.00 C ATOM 738 C ILE B 187 28.961 -23.552 26.201 1.00 0.00 C ATOM 739 O ILE B 187 29.453 -24.530 26.771 1.00 0.00 O ATOM 740 CB ILE B 187 27.680 -23.746 24.048 1.00 0.00 C ATOM 741 CG1 ILE B 187 26.278 -23.721 23.410 1.00 0.00 C ATOM 742 CG2 ILE B 187 28.378 -25.063 23.673 1.00 0.00 C ATOM 743 CD1 ILE B 187 26.398 -23.379 21.923 1.00 0.00 C ATOM 0 H ILE B 187 26.578 -21.776 25.198 1.00 0.00 H new ATOM 0 HA ILE B 187 27.046 -24.516 25.949 1.00 0.00 H new ATOM 0 HB ILE B 187 28.262 -22.902 23.678 1.00 0.00 H new ATOM 0 HG12 ILE B 187 25.794 -24.690 23.533 1.00 0.00 H new ATOM 0 HG13 ILE B 187 25.651 -22.985 23.914 1.00 0.00 H new ATOM 0 HG21 ILE B 187 28.454 -25.138 22.588 1.00 0.00 H new ATOM 0 HG22 ILE B 187 29.377 -25.083 24.109 1.00 0.00 H new ATOM 0 HG23 ILE B 187 27.799 -25.903 24.055 1.00 0.00 H new ATOM 0 HD11 ILE B 187 25.406 -23.362 21.472 1.00 0.00 H new ATOM 0 HD12 ILE B 187 26.865 -22.400 21.811 1.00 0.00 H new ATOM 0 HD13 ILE B 187 27.009 -24.131 21.425 1.00 0.00 H new ATOM 755 N TRP B 188 29.603 -22.412 26.083 1.00 0.00 N ATOM 756 CA TRP B 188 30.977 -22.238 26.643 1.00 0.00 C ATOM 757 C TRP B 188 30.954 -22.517 28.145 1.00 0.00 C ATOM 758 O TRP B 188 31.862 -23.165 28.675 1.00 0.00 O ATOM 759 CB TRP B 188 31.467 -20.802 26.391 1.00 0.00 C ATOM 760 CG TRP B 188 32.085 -20.670 25.024 1.00 0.00 C ATOM 761 CD1 TRP B 188 31.490 -21.001 23.849 1.00 0.00 C ATOM 762 CD2 TRP B 188 33.408 -20.163 24.678 1.00 0.00 C ATOM 763 NE1 TRP B 188 32.365 -20.732 22.813 1.00 0.00 N ATOM 764 CE2 TRP B 188 33.559 -20.214 23.272 1.00 0.00 C ATOM 765 CE3 TRP B 188 34.480 -19.671 25.443 1.00 0.00 C ATOM 766 CZ2 TRP B 188 34.736 -19.791 22.646 1.00 0.00 C ATOM 767 CZ3 TRP B 188 35.664 -19.243 24.818 1.00 0.00 C ATOM 768 CH2 TRP B 188 35.790 -19.303 23.423 1.00 0.00 C ATOM 0 H TRP B 188 29.226 -21.587 25.616 1.00 0.00 H new ATOM 0 HA TRP B 188 31.656 -22.937 26.154 1.00 0.00 H new ATOM 0 HB2 TRP B 188 30.631 -20.108 26.484 1.00 0.00 H new ATOM 0 HB3 TRP B 188 32.197 -20.525 27.151 1.00 0.00 H new ATOM 0 HD1 TRP B 188 30.495 -21.408 23.741 1.00 0.00 H new ATOM 0 HE1 TRP B 188 32.154 -20.896 21.829 1.00 0.00 H new ATOM 0 HE3 TRP B 188 34.393 -19.622 26.518 1.00 0.00 H new ATOM 0 HZ2 TRP B 188 34.829 -19.841 21.571 1.00 0.00 H new ATOM 0 HZ3 TRP B 188 36.481 -18.866 25.415 1.00 0.00 H new ATOM 0 HH2 TRP B 188 36.702 -18.972 22.949 1.00 0.00 H new ATOM 779 N LYS B 189 29.942 -22.036 28.830 1.00 0.00 N ATOM 780 CA LYS B 189 29.837 -22.253 30.308 1.00 0.00 C ATOM 781 C LYS B 189 29.665 -23.744 30.592 1.00 0.00 C ATOM 782 O LYS B 189 30.238 -24.271 31.551 1.00 0.00 O ATOM 783 CB LYS B 189 28.632 -21.470 30.854 1.00 0.00 C ATOM 784 CG LYS B 189 28.803 -21.175 32.357 1.00 0.00 C ATOM 785 CD LYS B 189 28.323 -22.369 33.192 1.00 0.00 C ATOM 786 CE LYS B 189 28.118 -21.934 34.647 1.00 0.00 C ATOM 787 NZ LYS B 189 27.730 -23.112 35.478 1.00 0.00 N ATOM 0 H LYS B 189 29.177 -21.497 28.423 1.00 0.00 H new ATOM 0 HA LYS B 189 30.744 -21.900 30.798 1.00 0.00 H new ATOM 0 HB2 LYS B 189 28.523 -20.534 30.306 1.00 0.00 H new ATOM 0 HB3 LYS B 189 27.718 -22.042 30.693 1.00 0.00 H new ATOM 0 HG2 LYS B 189 29.850 -20.966 32.577 1.00 0.00 H new ATOM 0 HG3 LYS B 189 28.237 -20.283 32.626 1.00 0.00 H new ATOM 0 HD2 LYS B 189 27.390 -22.759 32.784 1.00 0.00 H new ATOM 0 HD3 LYS B 189 29.054 -23.176 33.143 1.00 0.00 H new ATOM 0 HE2 LYS B 189 29.034 -21.489 35.036 1.00 0.00 H new ATOM 0 HE3 LYS B 189 27.344 -21.168 34.702 1.00 0.00 H new ATOM 0 HZ1 LYS B 189 27.592 -22.811 36.464 1.00 0.00 H new ATOM 0 HZ2 LYS B 189 26.845 -23.518 35.113 1.00 0.00 H new ATOM 0 HZ3 LYS B 189 28.482 -23.829 35.437 1.00 0.00 H new ATOM 801 N LYS B 190 28.894 -24.430 29.776 1.00 0.00 N ATOM 802 CA LYS B 190 28.669 -25.898 29.980 1.00 0.00 C ATOM 803 C LYS B 190 29.891 -26.691 29.509 1.00 0.00 C ATOM 804 O LYS B 190 30.142 -27.798 30.002 1.00 0.00 O ATOM 805 CB LYS B 190 27.435 -26.355 29.195 1.00 0.00 C ATOM 806 CG LYS B 190 26.938 -27.704 29.735 1.00 0.00 C ATOM 807 CD LYS B 190 26.161 -27.488 31.036 1.00 0.00 C ATOM 808 CE LYS B 190 25.510 -28.803 31.469 1.00 0.00 C ATOM 809 NZ LYS B 190 24.721 -28.582 32.713 1.00 0.00 N ATOM 0 H LYS B 190 28.409 -24.031 28.972 1.00 0.00 H new ATOM 0 HA LYS B 190 28.510 -26.079 31.043 1.00 0.00 H new ATOM 0 HB2 LYS B 190 26.645 -25.608 29.276 1.00 0.00 H new ATOM 0 HB3 LYS B 190 27.680 -26.446 28.137 1.00 0.00 H new ATOM 0 HG2 LYS B 190 26.300 -28.189 28.996 1.00 0.00 H new ATOM 0 HG3 LYS B 190 27.783 -28.369 29.912 1.00 0.00 H new ATOM 0 HD2 LYS B 190 26.831 -27.128 31.816 1.00 0.00 H new ATOM 0 HD3 LYS B 190 25.398 -26.723 30.893 1.00 0.00 H new ATOM 0 HE2 LYS B 190 24.862 -29.178 30.677 1.00 0.00 H new ATOM 0 HE3 LYS B 190 26.275 -29.560 31.641 1.00 0.00 H new ATOM 0 HZ1 LYS B 190 24.279 -29.476 33.007 1.00 0.00 H new ATOM 0 HZ2 LYS B 190 25.351 -28.243 33.468 1.00 0.00 H new ATOM 0 HZ3 LYS B 190 23.982 -27.873 32.534 1.00 0.00 H new ATOM 823 N MET B 191 30.643 -26.162 28.567 1.00 0.00 N ATOM 824 CA MET B 191 31.849 -26.885 28.048 1.00 0.00 C ATOM 825 C MET B 191 33.086 -26.524 28.879 1.00 0.00 C ATOM 826 O MET B 191 34.220 -26.644 28.398 1.00 0.00 O ATOM 827 CB MET B 191 32.082 -26.519 26.580 1.00 0.00 C ATOM 828 CG MET B 191 30.912 -27.026 25.734 1.00 0.00 C ATOM 829 SD MET B 191 30.950 -28.838 25.670 1.00 0.00 S ATOM 830 CE MET B 191 30.567 -29.040 23.910 1.00 0.00 C ATOM 0 H MET B 191 30.470 -25.255 28.134 1.00 0.00 H new ATOM 0 HA MET B 191 31.676 -27.958 28.127 1.00 0.00 H new ATOM 0 HB2 MET B 191 32.179 -25.438 26.475 1.00 0.00 H new ATOM 0 HB3 MET B 191 33.016 -26.958 26.229 1.00 0.00 H new ATOM 0 HG2 MET B 191 29.968 -26.687 26.160 1.00 0.00 H new ATOM 0 HG3 MET B 191 30.973 -26.615 24.726 1.00 0.00 H new ATOM 0 HE1 MET B 191 30.543 -30.101 23.662 1.00 0.00 H new ATOM 0 HE2 MET B 191 29.595 -28.595 23.696 1.00 0.00 H new ATOM 0 HE3 MET B 191 31.332 -28.545 23.312 1.00 0.00 H new