USER MOD reduce.3.24.130724 H: found=0, std=0, add=313, rem=0, adj=12 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= -1.05 USER MOD Single : A 174 THR OG1 : rot 180:sc= 0 USER MOD Single : A 182 THR OG1 : rot 96:sc= 1.17 USER MOD Single : A 184 SER OG : rot 70:sc= 0.84 USER MOD Single : A 186 THR OG1 : rot 11:sc= 0.296 USER MOD Single : B 172 THR OG1 : rot -41:sc= 0.146 USER MOD Single : B 174 THR OG1 : rot 180:sc= 0 USER MOD Single : B 182 THR OG1 : rot 86:sc= 1.24 USER MOD Single : B 184 SER OG : rot 33:sc= 0.841 USER MOD Single : B 186 THR OG1 : rot 180:sc= 0.04 USER MOD Single : B 189 LYS NZ :NH3+ -167:sc=-0.00738 (180deg=-0.276) USER MOD Single : B 190 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 191 MET CE :methyl -151:sc= -0.236 (180deg=-1.28!) USER MOD ----------------------------------------------------------------- ATOM 76 N GLN A 171 6.389 -14.131 17.384 1.00 0.00 N ATOM 77 CA GLN A 171 7.346 -13.805 16.277 1.00 0.00 C ATOM 78 C GLN A 171 8.717 -13.469 16.861 1.00 0.00 C ATOM 79 O GLN A 171 9.743 -13.966 16.377 1.00 0.00 O ATOM 80 CB GLN A 171 6.823 -12.607 15.473 1.00 0.00 C ATOM 81 CG GLN A 171 7.426 -12.613 14.063 1.00 0.00 C ATOM 82 CD GLN A 171 6.755 -11.546 13.206 1.00 0.00 C ATOM 83 OE1 GLN A 171 7.312 -10.466 13.007 1.00 0.00 O ATOM 84 NE2 GLN A 171 5.582 -11.784 12.685 1.00 0.00 N ATOM 0 HA GLN A 171 7.436 -14.669 15.619 1.00 0.00 H new ATOM 0 HB2 GLN A 171 5.735 -12.648 15.412 1.00 0.00 H new ATOM 0 HB3 GLN A 171 7.079 -11.678 15.982 1.00 0.00 H new ATOM 0 HG2 GLN A 171 8.499 -12.427 14.116 1.00 0.00 H new ATOM 0 HG3 GLN A 171 7.295 -13.594 13.606 1.00 0.00 H new ATOM 0 HE21 GLN A 171 5.122 -12.679 12.851 1.00 0.00 H new ATOM 0 HE22 GLN A 171 5.125 -11.075 12.112 1.00 0.00 H new ATOM 93 N THR A 172 8.757 -12.646 17.886 1.00 0.00 N ATOM 94 CA THR A 172 10.065 -12.269 18.517 1.00 0.00 C ATOM 95 C THR A 172 10.668 -13.498 19.191 1.00 0.00 C ATOM 96 O THR A 172 11.883 -13.718 19.136 1.00 0.00 O ATOM 97 CB THR A 172 9.866 -11.142 19.549 1.00 0.00 C ATOM 98 OG1 THR A 172 11.109 -10.862 20.178 1.00 0.00 O ATOM 99 CG2 THR A 172 8.843 -11.555 20.617 1.00 0.00 C ATOM 0 H THR A 172 7.936 -12.218 18.314 1.00 0.00 H new ATOM 0 HA THR A 172 10.742 -11.905 17.744 1.00 0.00 H new ATOM 0 HB THR A 172 9.494 -10.257 19.033 1.00 0.00 H new ATOM 0 HG1 THR A 172 10.989 -10.145 20.835 1.00 0.00 H new ATOM 0 HG21 THR A 172 8.719 -10.744 21.335 1.00 0.00 H new ATOM 0 HG22 THR A 172 7.886 -11.768 20.141 1.00 0.00 H new ATOM 0 HG23 THR A 172 9.197 -12.446 21.135 1.00 0.00 H new ATOM 107 N VAL A 173 9.837 -14.295 19.818 1.00 0.00 N ATOM 108 CA VAL A 173 10.320 -15.532 20.514 1.00 0.00 C ATOM 109 C VAL A 173 10.905 -16.485 19.477 1.00 0.00 C ATOM 110 O VAL A 173 11.920 -17.138 19.728 1.00 0.00 O ATOM 111 CB VAL A 173 9.164 -16.239 21.252 1.00 0.00 C ATOM 112 CG1 VAL A 173 9.739 -17.271 22.222 1.00 0.00 C ATOM 113 CG2 VAL A 173 8.326 -15.229 22.048 1.00 0.00 C ATOM 0 H VAL A 173 8.831 -14.140 19.878 1.00 0.00 H new ATOM 0 HA VAL A 173 11.076 -15.248 21.246 1.00 0.00 H new ATOM 0 HB VAL A 173 8.528 -16.723 20.511 1.00 0.00 H new ATOM 0 HG11 VAL A 173 8.924 -17.772 22.745 1.00 0.00 H new ATOM 0 HG12 VAL A 173 10.321 -18.007 21.667 1.00 0.00 H new ATOM 0 HG13 VAL A 173 10.382 -16.771 22.946 1.00 0.00 H new ATOM 0 HG21 VAL A 173 7.517 -15.750 22.560 1.00 0.00 H new ATOM 0 HG22 VAL A 173 8.958 -14.730 22.783 1.00 0.00 H new ATOM 0 HG23 VAL A 173 7.907 -14.488 21.368 1.00 0.00 H new ATOM 123 N THR A 174 10.276 -16.575 18.324 1.00 0.00 N ATOM 124 CA THR A 174 10.759 -17.491 17.243 1.00 0.00 C ATOM 125 C THR A 174 12.182 -17.115 16.840 1.00 0.00 C ATOM 126 O THR A 174 13.019 -17.993 16.610 1.00 0.00 O ATOM 127 CB THR A 174 9.837 -17.394 16.024 1.00 0.00 C ATOM 128 OG1 THR A 174 8.485 -17.498 16.447 1.00 0.00 O ATOM 129 CG2 THR A 174 10.155 -18.528 15.048 1.00 0.00 C ATOM 0 H THR A 174 9.438 -16.044 18.087 1.00 0.00 H new ATOM 0 HA THR A 174 10.750 -18.514 17.618 1.00 0.00 H new ATOM 0 HB THR A 174 9.992 -16.436 15.527 1.00 0.00 H new ATOM 0 HG1 THR A 174 7.893 -17.434 15.669 1.00 0.00 H new ATOM 0 HG21 THR A 174 9.498 -18.457 14.181 1.00 0.00 H new ATOM 0 HG22 THR A 174 11.193 -18.449 14.724 1.00 0.00 H new ATOM 0 HG23 THR A 174 10.001 -19.487 15.542 1.00 0.00 H new ATOM 137 N ILE A 175 12.467 -15.837 16.734 1.00 0.00 N ATOM 138 CA ILE A 175 13.840 -15.395 16.333 1.00 0.00 C ATOM 139 C ILE A 175 14.841 -15.782 17.418 1.00 0.00 C ATOM 140 O ILE A 175 15.920 -16.291 17.110 1.00 0.00 O ATOM 141 CB ILE A 175 13.878 -13.869 16.113 1.00 0.00 C ATOM 142 CG1 ILE A 175 12.845 -13.436 15.045 1.00 0.00 C ATOM 143 CG2 ILE A 175 15.286 -13.424 15.689 1.00 0.00 C ATOM 144 CD1 ILE A 175 13.097 -14.102 13.672 1.00 0.00 C ATOM 0 H ILE A 175 11.805 -15.081 16.909 1.00 0.00 H new ATOM 0 HA ILE A 175 14.105 -15.888 15.398 1.00 0.00 H new ATOM 0 HB ILE A 175 13.621 -13.388 17.057 1.00 0.00 H new ATOM 0 HG12 ILE A 175 11.843 -13.690 15.390 1.00 0.00 H new ATOM 0 HG13 ILE A 175 12.878 -12.352 14.931 1.00 0.00 H new ATOM 0 HG21 ILE A 175 15.296 -12.345 15.538 1.00 0.00 H new ATOM 0 HG22 ILE A 175 16.001 -13.688 16.468 1.00 0.00 H new ATOM 0 HG23 ILE A 175 15.561 -13.923 14.760 1.00 0.00 H new ATOM 0 HD11 ILE A 175 12.344 -13.764 12.960 1.00 0.00 H new ATOM 0 HD12 ILE A 175 14.088 -13.827 13.311 1.00 0.00 H new ATOM 0 HD13 ILE A 175 13.037 -15.185 13.777 1.00 0.00 H new ATOM 156 N PHE A 176 14.527 -15.513 18.661 1.00 0.00 N ATOM 157 CA PHE A 176 15.483 -15.828 19.765 1.00 0.00 C ATOM 158 C PHE A 176 15.786 -17.330 19.768 1.00 0.00 C ATOM 159 O PHE A 176 16.953 -17.726 19.847 1.00 0.00 O ATOM 160 CB PHE A 176 14.877 -15.419 21.127 1.00 0.00 C ATOM 161 CG PHE A 176 15.956 -14.882 22.064 1.00 0.00 C ATOM 162 CD1 PHE A 176 17.023 -15.705 22.462 1.00 0.00 C ATOM 163 CD2 PHE A 176 15.884 -13.563 22.531 1.00 0.00 C ATOM 164 CE1 PHE A 176 18.010 -15.204 23.321 1.00 0.00 C ATOM 165 CE2 PHE A 176 16.870 -13.064 23.390 1.00 0.00 C ATOM 166 CZ PHE A 176 17.933 -13.885 23.784 1.00 0.00 C ATOM 0 H PHE A 176 13.649 -15.088 18.958 1.00 0.00 H new ATOM 0 HA PHE A 176 16.406 -15.270 19.606 1.00 0.00 H new ATOM 0 HB2 PHE A 176 14.111 -14.659 20.975 1.00 0.00 H new ATOM 0 HB3 PHE A 176 14.387 -16.279 21.585 1.00 0.00 H new ATOM 0 HD1 PHE A 176 17.082 -16.723 22.106 1.00 0.00 H new ATOM 0 HD2 PHE A 176 15.064 -12.929 22.227 1.00 0.00 H new ATOM 0 HE1 PHE A 176 18.831 -15.836 23.626 1.00 0.00 H new ATOM 0 HE2 PHE A 176 16.811 -12.047 23.748 1.00 0.00 H new ATOM 0 HZ PHE A 176 18.695 -13.500 24.446 1.00 0.00 H new ATOM 176 N VAL A 177 14.769 -18.165 19.686 1.00 0.00 N ATOM 177 CA VAL A 177 14.995 -19.650 19.689 1.00 0.00 C ATOM 178 C VAL A 177 15.710 -20.071 18.406 1.00 0.00 C ATOM 179 O VAL A 177 16.664 -20.853 18.446 1.00 0.00 O ATOM 180 CB VAL A 177 13.666 -20.412 19.840 1.00 0.00 C ATOM 181 CG1 VAL A 177 13.020 -20.035 21.170 1.00 0.00 C ATOM 182 CG2 VAL A 177 12.701 -20.055 18.705 1.00 0.00 C ATOM 0 H VAL A 177 13.792 -17.880 19.617 1.00 0.00 H new ATOM 0 HA VAL A 177 15.623 -19.901 20.544 1.00 0.00 H new ATOM 0 HB VAL A 177 13.874 -21.481 19.804 1.00 0.00 H new ATOM 0 HG11 VAL A 177 12.078 -20.572 21.282 1.00 0.00 H new ATOM 0 HG12 VAL A 177 13.689 -20.301 21.988 1.00 0.00 H new ATOM 0 HG13 VAL A 177 12.831 -18.962 21.191 1.00 0.00 H new ATOM 0 HG21 VAL A 177 11.769 -20.606 18.833 1.00 0.00 H new ATOM 0 HG22 VAL A 177 12.496 -18.985 18.725 1.00 0.00 H new ATOM 0 HG23 VAL A 177 13.151 -20.320 17.748 1.00 0.00 H new ATOM 192 N ALA A 178 15.250 -19.578 17.278 1.00 0.00 N ATOM 193 CA ALA A 178 15.871 -19.948 15.967 1.00 0.00 C ATOM 194 C ALA A 178 17.326 -19.502 15.942 1.00 0.00 C ATOM 195 O ALA A 178 18.189 -20.224 15.436 1.00 0.00 O ATOM 196 CB ALA A 178 15.109 -19.277 14.820 1.00 0.00 C ATOM 0 H ALA A 178 14.465 -18.930 17.211 1.00 0.00 H new ATOM 0 HA ALA A 178 15.823 -21.030 15.845 1.00 0.00 H new ATOM 0 HB1 ALA A 178 15.567 -19.551 13.870 1.00 0.00 H new ATOM 0 HB2 ALA A 178 14.070 -19.607 14.831 1.00 0.00 H new ATOM 0 HB3 ALA A 178 15.147 -18.195 14.942 1.00 0.00 H new ATOM 202 N GLY A 179 17.614 -18.334 16.469 1.00 0.00 N ATOM 203 CA GLY A 179 19.022 -17.825 16.478 1.00 0.00 C ATOM 204 C GLY A 179 19.904 -18.747 17.323 1.00 0.00 C ATOM 205 O GLY A 179 21.036 -19.054 16.933 1.00 0.00 O ATOM 0 H GLY A 179 16.930 -17.709 16.895 1.00 0.00 H new ATOM 0 HA2 GLY A 179 19.406 -17.774 15.459 1.00 0.00 H new ATOM 0 HA3 GLY A 179 19.049 -16.812 16.880 1.00 0.00 H new ATOM 209 N VAL A 180 19.414 -19.193 18.464 1.00 0.00 N ATOM 210 CA VAL A 180 20.222 -20.100 19.345 1.00 0.00 C ATOM 211 C VAL A 180 20.348 -21.466 18.666 1.00 0.00 C ATOM 212 O VAL A 180 21.428 -22.063 18.652 1.00 0.00 O ATOM 213 CB VAL A 180 19.548 -20.247 20.726 1.00 0.00 C ATOM 214 CG1 VAL A 180 20.389 -21.156 21.637 1.00 0.00 C ATOM 215 CG2 VAL A 180 19.414 -18.870 21.387 1.00 0.00 C ATOM 0 H VAL A 180 18.486 -18.965 18.821 1.00 0.00 H new ATOM 0 HA VAL A 180 21.214 -19.674 19.496 1.00 0.00 H new ATOM 0 HB VAL A 180 18.562 -20.689 20.584 1.00 0.00 H new ATOM 0 HG11 VAL A 180 19.901 -21.250 22.607 1.00 0.00 H new ATOM 0 HG12 VAL A 180 20.483 -22.141 21.181 1.00 0.00 H new ATOM 0 HG13 VAL A 180 21.380 -20.722 21.770 1.00 0.00 H new ATOM 0 HG21 VAL A 180 18.938 -18.979 22.361 1.00 0.00 H new ATOM 0 HG22 VAL A 180 20.403 -18.429 21.514 1.00 0.00 H new ATOM 0 HG23 VAL A 180 18.806 -18.221 20.756 1.00 0.00 H new ATOM 225 N LEU A 181 19.263 -21.965 18.119 1.00 0.00 N ATOM 226 CA LEU A 181 19.281 -23.297 17.441 1.00 0.00 C ATOM 227 C LEU A 181 20.240 -23.250 16.253 1.00 0.00 C ATOM 228 O LEU A 181 21.024 -24.182 16.041 1.00 0.00 O ATOM 229 CB LEU A 181 17.862 -23.645 16.969 1.00 0.00 C ATOM 230 CG LEU A 181 17.754 -25.150 16.629 1.00 0.00 C ATOM 231 CD1 LEU A 181 16.305 -25.618 16.801 1.00 0.00 C ATOM 232 CD2 LEU A 181 18.183 -25.391 15.176 1.00 0.00 C ATOM 0 H LEU A 181 18.356 -21.498 18.115 1.00 0.00 H new ATOM 0 HA LEU A 181 19.621 -24.064 18.137 1.00 0.00 H new ATOM 0 HB2 LEU A 181 17.142 -23.390 17.746 1.00 0.00 H new ATOM 0 HB3 LEU A 181 17.609 -23.050 16.092 1.00 0.00 H new ATOM 0 HG LEU A 181 18.406 -25.708 17.301 1.00 0.00 H new ATOM 0 HD11 LEU A 181 16.234 -26.679 16.560 1.00 0.00 H new ATOM 0 HD12 LEU A 181 15.991 -25.458 17.833 1.00 0.00 H new ATOM 0 HD13 LEU A 181 15.658 -25.050 16.133 1.00 0.00 H new ATOM 0 HD21 LEU A 181 18.104 -26.453 14.945 1.00 0.00 H new ATOM 0 HD22 LEU A 181 17.535 -24.825 14.507 1.00 0.00 H new ATOM 0 HD23 LEU A 181 19.215 -25.066 15.043 1.00 0.00 H new ATOM 244 N THR A 182 20.197 -22.184 15.488 1.00 0.00 N ATOM 245 CA THR A 182 21.100 -22.048 14.303 1.00 0.00 C ATOM 246 C THR A 182 22.551 -21.999 14.775 1.00 0.00 C ATOM 247 O THR A 182 23.418 -22.688 14.220 1.00 0.00 O ATOM 248 CB THR A 182 20.759 -20.768 13.530 1.00 0.00 C ATOM 249 OG1 THR A 182 19.362 -20.730 13.276 1.00 0.00 O ATOM 250 CG2 THR A 182 21.519 -20.743 12.204 1.00 0.00 C ATOM 0 H THR A 182 19.568 -21.395 15.637 1.00 0.00 H new ATOM 0 HA THR A 182 20.962 -22.905 13.643 1.00 0.00 H new ATOM 0 HB THR A 182 21.048 -19.901 14.124 1.00 0.00 H new ATOM 0 HG1 THR A 182 18.918 -20.196 13.968 1.00 0.00 H new ATOM 0 HG21 THR A 182 21.272 -19.831 11.660 1.00 0.00 H new ATOM 0 HG22 THR A 182 22.591 -20.770 12.399 1.00 0.00 H new ATOM 0 HG23 THR A 182 21.237 -21.610 11.606 1.00 0.00 H new ATOM 258 N ALA A 183 22.829 -21.198 15.779 1.00 0.00 N ATOM 259 CA ALA A 183 24.226 -21.082 16.299 1.00 0.00 C ATOM 260 C ALA A 183 24.682 -22.423 16.856 1.00 0.00 C ATOM 261 O ALA A 183 25.855 -22.787 16.719 1.00 0.00 O ATOM 262 CB ALA A 183 24.304 -20.008 17.387 1.00 0.00 C ATOM 0 H ALA A 183 22.142 -20.618 16.261 1.00 0.00 H new ATOM 0 HA ALA A 183 24.883 -20.793 15.479 1.00 0.00 H new ATOM 0 HB1 ALA A 183 25.328 -19.936 17.755 1.00 0.00 H new ATOM 0 HB2 ALA A 183 23.999 -19.047 16.972 1.00 0.00 H new ATOM 0 HB3 ALA A 183 23.641 -20.275 18.210 1.00 0.00 H new ATOM 268 N SER A 184 23.786 -23.168 17.463 1.00 0.00 N ATOM 269 CA SER A 184 24.155 -24.508 18.019 1.00 0.00 C ATOM 270 C SER A 184 24.761 -25.352 16.896 1.00 0.00 C ATOM 271 O SER A 184 25.730 -26.086 17.105 1.00 0.00 O ATOM 272 CB SER A 184 22.911 -25.205 18.571 1.00 0.00 C ATOM 273 OG SER A 184 22.456 -24.512 19.726 1.00 0.00 O ATOM 0 H SER A 184 22.810 -22.902 17.597 1.00 0.00 H new ATOM 0 HA SER A 184 24.876 -24.386 18.827 1.00 0.00 H new ATOM 0 HB2 SER A 184 22.127 -25.227 17.814 1.00 0.00 H new ATOM 0 HB3 SER A 184 23.142 -26.240 18.822 1.00 0.00 H new ATOM 0 HG SER A 184 22.081 -23.646 19.461 1.00 0.00 H new ATOM 279 N LEU A 185 24.189 -25.259 15.714 1.00 0.00 N ATOM 280 CA LEU A 185 24.685 -26.047 14.537 1.00 0.00 C ATOM 281 C LEU A 185 26.105 -25.618 14.148 1.00 0.00 C ATOM 282 O LEU A 185 26.930 -26.469 13.792 1.00 0.00 O ATOM 283 CB LEU A 185 23.750 -25.908 13.296 1.00 0.00 C ATOM 284 CG LEU A 185 22.258 -25.659 13.662 1.00 0.00 C ATOM 285 CD1 LEU A 185 21.419 -25.712 12.383 1.00 0.00 C ATOM 286 CD2 LEU A 185 21.745 -26.724 14.648 1.00 0.00 C ATOM 0 H LEU A 185 23.387 -24.661 15.514 1.00 0.00 H new ATOM 0 HA LEU A 185 24.690 -27.092 14.847 1.00 0.00 H new ATOM 0 HB2 LEU A 185 24.105 -25.085 12.675 1.00 0.00 H new ATOM 0 HB3 LEU A 185 23.821 -26.815 12.695 1.00 0.00 H new ATOM 0 HG LEU A 185 22.173 -24.681 14.137 1.00 0.00 H new ATOM 0 HD11 LEU A 185 20.371 -25.539 12.628 1.00 0.00 H new ATOM 0 HD12 LEU A 185 21.762 -24.943 11.691 1.00 0.00 H new ATOM 0 HD13 LEU A 185 21.526 -26.692 11.918 1.00 0.00 H new ATOM 0 HD21 LEU A 185 20.700 -26.526 14.887 1.00 0.00 H new ATOM 0 HD22 LEU A 185 21.833 -27.712 14.195 1.00 0.00 H new ATOM 0 HD23 LEU A 185 22.338 -26.690 15.562 1.00 0.00 H new ATOM 298 N THR A 186 26.402 -24.330 14.169 1.00 0.00 N ATOM 299 CA THR A 186 27.766 -23.854 13.758 1.00 0.00 C ATOM 300 C THR A 186 28.795 -24.175 14.830 1.00 0.00 C ATOM 301 O THR A 186 29.883 -24.671 14.521 1.00 0.00 O ATOM 302 CB THR A 186 27.746 -22.340 13.525 1.00 0.00 C ATOM 303 OG1 THR A 186 26.985 -21.716 14.550 1.00 0.00 O ATOM 304 CG2 THR A 186 27.123 -22.028 12.165 1.00 0.00 C ATOM 0 H THR A 186 25.757 -23.593 14.453 1.00 0.00 H new ATOM 0 HA THR A 186 28.039 -24.367 12.836 1.00 0.00 H new ATOM 0 HB THR A 186 28.768 -21.961 13.543 1.00 0.00 H new ATOM 0 HG1 THR A 186 26.791 -22.367 15.256 1.00 0.00 H new ATOM 0 HG21 THR A 186 27.113 -20.949 12.008 1.00 0.00 H new ATOM 0 HG22 THR A 186 27.709 -22.504 11.379 1.00 0.00 H new ATOM 0 HG23 THR A 186 26.102 -22.408 12.137 1.00 0.00 H new ATOM 312 N ILE A 187 28.488 -23.881 16.068 1.00 0.00 N ATOM 313 CA ILE A 187 29.455 -24.140 17.181 1.00 0.00 C ATOM 314 C ILE A 187 29.713 -25.644 17.289 1.00 0.00 C ATOM 315 O ILE A 187 30.866 -26.076 17.374 1.00 0.00 O ATOM 316 CB ILE A 187 28.905 -23.608 18.521 1.00 0.00 C ATOM 317 CG1 ILE A 187 28.552 -22.114 18.395 1.00 0.00 C ATOM 318 CG2 ILE A 187 29.963 -23.783 19.623 1.00 0.00 C ATOM 319 CD1 ILE A 187 27.630 -21.703 19.547 1.00 0.00 C ATOM 0 H ILE A 187 27.601 -23.469 16.359 1.00 0.00 H new ATOM 0 HA ILE A 187 30.387 -23.620 16.962 1.00 0.00 H new ATOM 0 HB ILE A 187 28.008 -24.171 18.778 1.00 0.00 H new ATOM 0 HG12 ILE A 187 29.461 -21.513 18.412 1.00 0.00 H new ATOM 0 HG13 ILE A 187 28.063 -21.925 17.440 1.00 0.00 H new ATOM 0 HG21 ILE A 187 29.570 -23.406 20.567 1.00 0.00 H new ATOM 0 HG22 ILE A 187 30.208 -24.840 19.728 1.00 0.00 H new ATOM 0 HG23 ILE A 187 30.862 -23.227 19.356 1.00 0.00 H new ATOM 0 HD11 ILE A 187 27.382 -20.646 19.455 1.00 0.00 H new ATOM 0 HD12 ILE A 187 26.715 -22.295 19.510 1.00 0.00 H new ATOM 0 HD13 ILE A 187 28.136 -21.876 20.497 1.00 0.00 H new ATOM 331 N TRP A 188 28.664 -26.436 17.314 1.00 0.00 N ATOM 332 CA TRP A 188 28.825 -27.917 17.445 1.00 0.00 C ATOM 333 C TRP A 188 29.594 -28.469 16.244 1.00 0.00 C ATOM 334 O TRP A 188 30.505 -29.287 16.409 1.00 0.00 O ATOM 335 CB TRP A 188 27.447 -28.586 17.537 1.00 0.00 C ATOM 336 CG TRP A 188 27.605 -30.023 17.924 1.00 0.00 C ATOM 337 CD1 TRP A 188 28.049 -30.462 19.125 1.00 0.00 C ATOM 338 CD2 TRP A 188 27.329 -31.214 17.131 1.00 0.00 C ATOM 339 NE1 TRP A 188 28.065 -31.846 19.117 1.00 0.00 N ATOM 340 CE2 TRP A 188 27.629 -32.356 17.911 1.00 0.00 C ATOM 341 CE3 TRP A 188 26.852 -31.411 15.823 1.00 0.00 C ATOM 342 CZ2 TRP A 188 27.463 -33.647 17.410 1.00 0.00 C ATOM 343 CZ3 TRP A 188 26.683 -32.709 15.315 1.00 0.00 C ATOM 344 CH2 TRP A 188 26.988 -33.825 16.107 1.00 0.00 C ATOM 0 H TRP A 188 27.698 -26.115 17.249 1.00 0.00 H new ATOM 0 HA TRP A 188 29.387 -28.133 18.354 1.00 0.00 H new ATOM 0 HB2 TRP A 188 26.830 -28.068 18.271 1.00 0.00 H new ATOM 0 HB3 TRP A 188 26.932 -28.513 16.579 1.00 0.00 H new ATOM 0 HD1 TRP A 188 28.343 -29.835 19.954 1.00 0.00 H new ATOM 0 HE1 TRP A 188 28.363 -32.419 19.906 1.00 0.00 H new ATOM 0 HE3 TRP A 188 26.614 -30.558 15.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 188 27.700 -34.503 18.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 188 26.316 -32.848 14.309 1.00 0.00 H new ATOM 0 HH2 TRP A 188 26.856 -34.821 15.711 1.00 0.00 H new ATOM 517 N THR B 172 14.748 -6.606 14.849 1.00 0.00 N ATOM 518 CA THR B 172 14.818 -8.084 14.612 1.00 0.00 C ATOM 519 C THR B 172 16.281 -8.518 14.554 1.00 0.00 C ATOM 520 O THR B 172 16.628 -9.628 14.966 1.00 0.00 O ATOM 521 CB THR B 172 14.122 -8.439 13.296 1.00 0.00 C ATOM 522 OG1 THR B 172 14.691 -7.678 12.241 1.00 0.00 O ATOM 523 CG2 THR B 172 12.629 -8.127 13.406 1.00 0.00 C ATOM 0 HA THR B 172 14.314 -8.603 15.428 1.00 0.00 H new ATOM 0 HB THR B 172 14.254 -9.501 13.090 1.00 0.00 H new ATOM 0 HG1 THR B 172 14.853 -6.762 12.549 1.00 0.00 H new ATOM 0 HG21 THR B 172 12.134 -8.380 12.468 1.00 0.00 H new ATOM 0 HG22 THR B 172 12.194 -8.713 14.216 1.00 0.00 H new ATOM 0 HG23 THR B 172 12.493 -7.065 13.613 1.00 0.00 H new ATOM 531 N VAL B 173 17.135 -7.667 14.040 1.00 0.00 N ATOM 532 CA VAL B 173 18.590 -7.999 13.934 1.00 0.00 C ATOM 533 C VAL B 173 19.194 -8.059 15.335 1.00 0.00 C ATOM 534 O VAL B 173 20.030 -8.920 15.621 1.00 0.00 O ATOM 535 CB VAL B 173 19.348 -6.943 13.105 1.00 0.00 C ATOM 536 CG1 VAL B 173 20.727 -7.486 12.732 1.00 0.00 C ATOM 537 CG2 VAL B 173 18.585 -6.613 11.816 1.00 0.00 C ATOM 0 H VAL B 173 16.882 -6.745 13.685 1.00 0.00 H new ATOM 0 HA VAL B 173 18.685 -8.963 13.433 1.00 0.00 H new ATOM 0 HB VAL B 173 19.443 -6.038 13.705 1.00 0.00 H new ATOM 0 HG11 VAL B 173 21.265 -6.741 12.146 1.00 0.00 H new ATOM 0 HG12 VAL B 173 21.288 -7.708 13.640 1.00 0.00 H new ATOM 0 HG13 VAL B 173 20.613 -8.397 12.144 1.00 0.00 H new ATOM 0 HG21 VAL B 173 19.138 -5.866 11.247 1.00 0.00 H new ATOM 0 HG22 VAL B 173 18.475 -7.517 11.217 1.00 0.00 H new ATOM 0 HG23 VAL B 173 17.599 -6.221 12.067 1.00 0.00 H new ATOM 547 N THR B 174 18.811 -7.138 16.198 1.00 0.00 N ATOM 548 CA THR B 174 19.387 -7.097 17.582 1.00 0.00 C ATOM 549 C THR B 174 18.999 -8.342 18.380 1.00 0.00 C ATOM 550 O THR B 174 19.850 -8.919 19.067 1.00 0.00 O ATOM 551 CB THR B 174 18.893 -5.845 18.314 1.00 0.00 C ATOM 552 OG1 THR B 174 19.038 -4.714 17.465 1.00 0.00 O ATOM 553 CG2 THR B 174 19.713 -5.635 19.588 1.00 0.00 C ATOM 0 H THR B 174 18.122 -6.413 15.999 1.00 0.00 H new ATOM 0 HA THR B 174 20.473 -7.069 17.495 1.00 0.00 H new ATOM 0 HB THR B 174 17.843 -5.971 18.579 1.00 0.00 H new ATOM 0 HG1 THR B 174 18.721 -3.912 17.931 1.00 0.00 H new ATOM 0 HG21 THR B 174 19.359 -4.744 20.106 1.00 0.00 H new ATOM 0 HG22 THR B 174 19.601 -6.502 20.240 1.00 0.00 H new ATOM 0 HG23 THR B 174 20.764 -5.510 19.328 1.00 0.00 H new ATOM 561 N ILE B 175 17.752 -8.772 18.316 1.00 0.00 N ATOM 562 CA ILE B 175 17.340 -9.989 19.091 1.00 0.00 C ATOM 563 C ILE B 175 18.057 -11.217 18.519 1.00 0.00 C ATOM 564 O ILE B 175 18.539 -12.069 19.273 1.00 0.00 O ATOM 565 CB ILE B 175 15.803 -10.159 19.090 1.00 0.00 C ATOM 566 CG1 ILE B 175 15.410 -11.245 20.106 1.00 0.00 C ATOM 567 CG2 ILE B 175 15.291 -10.550 17.699 1.00 0.00 C ATOM 568 CD1 ILE B 175 13.918 -11.125 20.446 1.00 0.00 C ATOM 0 H ILE B 175 17.012 -8.335 17.766 1.00 0.00 H new ATOM 0 HA ILE B 175 17.635 -9.872 20.134 1.00 0.00 H new ATOM 0 HB ILE B 175 15.350 -9.206 19.366 1.00 0.00 H new ATOM 0 HG12 ILE B 175 15.620 -12.233 19.696 1.00 0.00 H new ATOM 0 HG13 ILE B 175 16.008 -11.142 21.012 1.00 0.00 H new ATOM 0 HG21 ILE B 175 14.207 -10.663 17.729 1.00 0.00 H new ATOM 0 HG22 ILE B 175 15.556 -9.773 16.982 1.00 0.00 H new ATOM 0 HG23 ILE B 175 15.746 -11.493 17.396 1.00 0.00 H new ATOM 0 HD11 ILE B 175 13.646 -11.897 21.166 1.00 0.00 H new ATOM 0 HD12 ILE B 175 13.720 -10.143 20.875 1.00 0.00 H new ATOM 0 HD13 ILE B 175 13.327 -11.250 19.539 1.00 0.00 H new ATOM 580 N PHE B 176 18.132 -11.318 17.207 1.00 0.00 N ATOM 581 CA PHE B 176 18.816 -12.486 16.561 1.00 0.00 C ATOM 582 C PHE B 176 20.269 -12.542 17.030 1.00 0.00 C ATOM 583 O PHE B 176 20.761 -13.610 17.408 1.00 0.00 O ATOM 584 CB PHE B 176 18.784 -12.338 15.027 1.00 0.00 C ATOM 585 CG PHE B 176 18.859 -13.699 14.339 1.00 0.00 C ATOM 586 CD1 PHE B 176 19.962 -14.546 14.542 1.00 0.00 C ATOM 587 CD2 PHE B 176 17.820 -14.107 13.487 1.00 0.00 C ATOM 588 CE1 PHE B 176 20.021 -15.788 13.898 1.00 0.00 C ATOM 589 CE2 PHE B 176 17.881 -15.349 12.847 1.00 0.00 C ATOM 590 CZ PHE B 176 18.981 -16.190 13.053 1.00 0.00 C ATOM 0 H PHE B 176 17.745 -10.636 16.555 1.00 0.00 H new ATOM 0 HA PHE B 176 18.297 -13.402 16.843 1.00 0.00 H new ATOM 0 HB2 PHE B 176 17.869 -11.826 14.727 1.00 0.00 H new ATOM 0 HB3 PHE B 176 19.618 -11.717 14.702 1.00 0.00 H new ATOM 0 HD1 PHE B 176 20.765 -14.239 15.195 1.00 0.00 H new ATOM 0 HD2 PHE B 176 16.971 -13.459 13.325 1.00 0.00 H new ATOM 0 HE1 PHE B 176 20.870 -16.436 14.054 1.00 0.00 H new ATOM 0 HE2 PHE B 176 17.079 -15.659 12.194 1.00 0.00 H new ATOM 0 HZ PHE B 176 19.027 -17.150 12.559 1.00 0.00 H new ATOM 600 N VAL B 177 20.961 -11.421 17.010 1.00 0.00 N ATOM 601 CA VAL B 177 22.396 -11.396 17.444 1.00 0.00 C ATOM 602 C VAL B 177 22.473 -11.711 18.940 1.00 0.00 C ATOM 603 O VAL B 177 23.375 -12.435 19.378 1.00 0.00 O ATOM 604 CB VAL B 177 23.032 -10.022 17.131 1.00 0.00 C ATOM 605 CG1 VAL B 177 24.505 -10.005 17.566 1.00 0.00 C ATOM 606 CG2 VAL B 177 22.956 -9.754 15.620 1.00 0.00 C ATOM 0 H VAL B 177 20.589 -10.520 16.710 1.00 0.00 H new ATOM 0 HA VAL B 177 22.957 -12.151 16.894 1.00 0.00 H new ATOM 0 HB VAL B 177 22.486 -9.252 17.676 1.00 0.00 H new ATOM 0 HG11 VAL B 177 24.940 -9.032 17.340 1.00 0.00 H new ATOM 0 HG12 VAL B 177 24.570 -10.191 18.638 1.00 0.00 H new ATOM 0 HG13 VAL B 177 25.052 -10.780 17.029 1.00 0.00 H new ATOM 0 HG21 VAL B 177 23.404 -8.785 15.399 1.00 0.00 H new ATOM 0 HG22 VAL B 177 23.496 -10.534 15.084 1.00 0.00 H new ATOM 0 HG23 VAL B 177 21.913 -9.752 15.303 1.00 0.00 H new ATOM 616 N ALA B 178 21.555 -11.188 19.727 1.00 0.00 N ATOM 617 CA ALA B 178 21.570 -11.456 21.199 1.00 0.00 C ATOM 618 C ALA B 178 21.443 -12.958 21.439 1.00 0.00 C ATOM 619 O ALA B 178 22.080 -13.502 22.346 1.00 0.00 O ATOM 620 CB ALA B 178 20.411 -10.723 21.880 1.00 0.00 C ATOM 0 H ALA B 178 20.796 -10.586 19.408 1.00 0.00 H new ATOM 0 HA ALA B 178 22.509 -11.096 21.620 1.00 0.00 H new ATOM 0 HB1 ALA B 178 20.432 -10.925 22.951 1.00 0.00 H new ATOM 0 HB2 ALA B 178 20.509 -9.651 21.711 1.00 0.00 H new ATOM 0 HB3 ALA B 178 19.466 -11.071 21.463 1.00 0.00 H new ATOM 626 N GLY B 179 20.639 -13.632 20.644 1.00 0.00 N ATOM 627 CA GLY B 179 20.459 -15.108 20.807 1.00 0.00 C ATOM 628 C GLY B 179 21.767 -15.824 20.478 1.00 0.00 C ATOM 629 O GLY B 179 22.125 -16.801 21.147 1.00 0.00 O ATOM 0 H GLY B 179 20.098 -13.216 19.886 1.00 0.00 H new ATOM 0 HA2 GLY B 179 20.155 -15.337 21.828 1.00 0.00 H new ATOM 0 HA3 GLY B 179 19.664 -15.462 20.151 1.00 0.00 H new ATOM 633 N VAL B 180 22.486 -15.365 19.470 1.00 0.00 N ATOM 634 CA VAL B 180 23.781 -16.019 19.097 1.00 0.00 C ATOM 635 C VAL B 180 24.793 -15.758 20.213 1.00 0.00 C ATOM 636 O VAL B 180 25.518 -16.669 20.630 1.00 0.00 O ATOM 637 CB VAL B 180 24.303 -15.469 17.753 1.00 0.00 C ATOM 638 CG1 VAL B 180 25.609 -16.176 17.360 1.00 0.00 C ATOM 639 CG2 VAL B 180 23.262 -15.717 16.657 1.00 0.00 C ATOM 0 H VAL B 180 22.227 -14.565 18.893 1.00 0.00 H new ATOM 0 HA VAL B 180 23.630 -17.092 18.977 1.00 0.00 H new ATOM 0 HB VAL B 180 24.486 -14.400 17.863 1.00 0.00 H new ATOM 0 HG11 VAL B 180 25.966 -15.779 16.410 1.00 0.00 H new ATOM 0 HG12 VAL B 180 26.361 -16.006 18.130 1.00 0.00 H new ATOM 0 HG13 VAL B 180 25.428 -17.246 17.260 1.00 0.00 H new ATOM 0 HG21 VAL B 180 23.632 -15.328 15.709 1.00 0.00 H new ATOM 0 HG22 VAL B 180 23.080 -16.788 16.564 1.00 0.00 H new ATOM 0 HG23 VAL B 180 22.332 -15.212 16.918 1.00 0.00 H new ATOM 649 N LEU B 181 24.850 -14.538 20.703 1.00 0.00 N ATOM 650 CA LEU B 181 25.807 -14.197 21.799 1.00 0.00 C ATOM 651 C LEU B 181 25.461 -15.034 23.026 1.00 0.00 C ATOM 652 O LEU B 181 26.348 -15.587 23.679 1.00 0.00 O ATOM 653 CB LEU B 181 25.713 -12.698 22.125 1.00 0.00 C ATOM 654 CG LEU B 181 26.801 -12.294 23.150 1.00 0.00 C ATOM 655 CD1 LEU B 181 27.139 -10.804 22.985 1.00 0.00 C ATOM 656 CD2 LEU B 181 26.298 -12.545 24.586 1.00 0.00 C ATOM 0 H LEU B 181 24.269 -13.762 20.386 1.00 0.00 H new ATOM 0 HA LEU B 181 26.828 -14.415 21.487 1.00 0.00 H new ATOM 0 HB2 LEU B 181 25.831 -12.114 21.212 1.00 0.00 H new ATOM 0 HB3 LEU B 181 24.725 -12.469 22.525 1.00 0.00 H new ATOM 0 HG LEU B 181 27.692 -12.896 22.972 1.00 0.00 H new ATOM 0 HD11 LEU B 181 27.905 -10.522 23.708 1.00 0.00 H new ATOM 0 HD12 LEU B 181 27.509 -10.624 21.976 1.00 0.00 H new ATOM 0 HD13 LEU B 181 26.243 -10.207 23.155 1.00 0.00 H new ATOM 0 HD21 LEU B 181 27.072 -12.257 25.298 1.00 0.00 H new ATOM 0 HD22 LEU B 181 25.401 -11.953 24.766 1.00 0.00 H new ATOM 0 HD23 LEU B 181 26.066 -13.603 24.710 1.00 0.00 H new ATOM 668 N THR B 182 24.192 -15.151 23.339 1.00 0.00 N ATOM 669 CA THR B 182 23.769 -15.970 24.516 1.00 0.00 C ATOM 670 C THR B 182 24.128 -17.433 24.261 1.00 0.00 C ATOM 671 O THR B 182 24.540 -18.151 25.177 1.00 0.00 O ATOM 672 CB THR B 182 22.259 -15.838 24.737 1.00 0.00 C ATOM 673 OG1 THR B 182 21.899 -14.465 24.731 1.00 0.00 O ATOM 674 CG2 THR B 182 21.880 -16.463 26.081 1.00 0.00 C ATOM 0 H THR B 182 23.428 -14.711 22.826 1.00 0.00 H new ATOM 0 HA THR B 182 24.284 -15.614 25.408 1.00 0.00 H new ATOM 0 HB THR B 182 21.729 -16.355 23.938 1.00 0.00 H new ATOM 0 HG1 THR B 182 21.741 -14.172 23.809 1.00 0.00 H new ATOM 0 HG21 THR B 182 20.805 -16.368 26.236 1.00 0.00 H new ATOM 0 HG22 THR B 182 22.155 -17.518 26.082 1.00 0.00 H new ATOM 0 HG23 THR B 182 22.409 -15.949 26.883 1.00 0.00 H new ATOM 682 N ALA B 183 23.958 -17.882 23.038 1.00 0.00 N ATOM 683 CA ALA B 183 24.254 -19.302 22.680 1.00 0.00 C ATOM 684 C ALA B 183 25.709 -19.653 22.997 1.00 0.00 C ATOM 685 O ALA B 183 25.990 -20.778 23.420 1.00 0.00 O ATOM 686 CB ALA B 183 23.978 -19.527 21.189 1.00 0.00 C ATOM 0 H ALA B 183 23.621 -17.312 22.262 1.00 0.00 H new ATOM 0 HA ALA B 183 23.608 -19.950 23.273 1.00 0.00 H new ATOM 0 HB1 ALA B 183 24.195 -20.564 20.931 1.00 0.00 H new ATOM 0 HB2 ALA B 183 22.931 -19.312 20.976 1.00 0.00 H new ATOM 0 HB3 ALA B 183 24.612 -18.866 20.598 1.00 0.00 H new ATOM 692 N SER B 184 26.636 -18.732 22.811 1.00 0.00 N ATOM 693 CA SER B 184 28.072 -19.040 23.111 1.00 0.00 C ATOM 694 C SER B 184 28.230 -19.181 24.618 1.00 0.00 C ATOM 695 O SER B 184 28.912 -20.084 25.105 1.00 0.00 O ATOM 696 CB SER B 184 28.989 -17.931 22.589 1.00 0.00 C ATOM 697 OG SER B 184 28.316 -16.684 22.660 1.00 0.00 O ATOM 0 H SER B 184 26.458 -17.789 22.467 1.00 0.00 H new ATOM 0 HA SER B 184 28.355 -19.968 22.613 1.00 0.00 H new ATOM 0 HB2 SER B 184 29.905 -17.895 23.178 1.00 0.00 H new ATOM 0 HB3 SER B 184 29.280 -18.140 21.560 1.00 0.00 H new ATOM 0 HG SER B 184 27.715 -16.680 23.434 1.00 0.00 H new ATOM 703 N LEU B 185 27.609 -18.296 25.354 1.00 0.00 N ATOM 704 CA LEU B 185 27.691 -18.315 26.845 1.00 0.00 C ATOM 705 C LEU B 185 27.058 -19.584 27.424 1.00 0.00 C ATOM 706 O LEU B 185 27.612 -20.181 28.355 1.00 0.00 O ATOM 707 CB LEU B 185 26.971 -17.067 27.389 1.00 0.00 C ATOM 708 CG LEU B 185 27.931 -15.866 27.487 1.00 0.00 C ATOM 709 CD1 LEU B 185 28.472 -15.460 26.108 1.00 0.00 C ATOM 710 CD2 LEU B 185 27.172 -14.684 28.077 1.00 0.00 C ATOM 0 H LEU B 185 27.035 -17.543 24.974 1.00 0.00 H new ATOM 0 HA LEU B 185 28.739 -18.309 27.144 1.00 0.00 H new ATOM 0 HB2 LEU B 185 26.134 -16.814 26.738 1.00 0.00 H new ATOM 0 HB3 LEU B 185 26.555 -17.284 28.373 1.00 0.00 H new ATOM 0 HG LEU B 185 28.774 -16.152 28.116 1.00 0.00 H new ATOM 0 HD11 LEU B 185 29.145 -14.610 26.217 1.00 0.00 H new ATOM 0 HD12 LEU B 185 29.013 -16.298 25.669 1.00 0.00 H new ATOM 0 HD13 LEU B 185 27.642 -15.184 25.458 1.00 0.00 H new ATOM 0 HD21 LEU B 185 27.839 -13.825 28.153 1.00 0.00 H new ATOM 0 HD22 LEU B 185 26.330 -14.434 27.432 1.00 0.00 H new ATOM 0 HD23 LEU B 185 26.804 -14.946 29.069 1.00 0.00 H new ATOM 722 N THR B 186 25.910 -19.994 26.924 1.00 0.00 N ATOM 723 CA THR B 186 25.226 -21.215 27.475 1.00 0.00 C ATOM 724 C THR B 186 25.928 -22.487 27.007 1.00 0.00 C ATOM 725 O THR B 186 26.180 -23.391 27.812 1.00 0.00 O ATOM 726 CB THR B 186 23.762 -21.254 27.012 1.00 0.00 C ATOM 727 OG1 THR B 186 23.670 -20.739 25.692 1.00 0.00 O ATOM 728 CG2 THR B 186 22.890 -20.418 27.950 1.00 0.00 C ATOM 0 H THR B 186 25.417 -19.535 26.158 1.00 0.00 H new ATOM 0 HA THR B 186 25.269 -21.163 28.563 1.00 0.00 H new ATOM 0 HB THR B 186 23.411 -22.286 27.028 1.00 0.00 H new ATOM 0 HG1 THR B 186 22.736 -20.765 25.395 1.00 0.00 H new ATOM 0 HG21 THR B 186 21.854 -20.453 27.612 1.00 0.00 H new ATOM 0 HG22 THR B 186 22.955 -20.819 28.961 1.00 0.00 H new ATOM 0 HG23 THR B 186 23.238 -19.385 27.946 1.00 0.00 H new ATOM 736 N ILE B 187 26.221 -22.587 25.734 1.00 0.00 N ATOM 737 CA ILE B 187 26.883 -23.819 25.196 1.00 0.00 C ATOM 738 C ILE B 187 28.297 -23.940 25.768 1.00 0.00 C ATOM 739 O ILE B 187 28.716 -25.034 26.153 1.00 0.00 O ATOM 740 CB ILE B 187 26.946 -23.787 23.654 1.00 0.00 C ATOM 741 CG1 ILE B 187 25.532 -23.592 23.073 1.00 0.00 C ATOM 742 CG2 ILE B 187 27.524 -25.113 23.128 1.00 0.00 C ATOM 743 CD1 ILE B 187 25.635 -23.158 21.607 1.00 0.00 C ATOM 0 H ILE B 187 26.030 -21.865 25.040 1.00 0.00 H new ATOM 0 HA ILE B 187 26.291 -24.683 25.497 1.00 0.00 H new ATOM 0 HB ILE B 187 27.585 -22.959 23.347 1.00 0.00 H new ATOM 0 HG12 ILE B 187 24.965 -24.520 23.149 1.00 0.00 H new ATOM 0 HG13 ILE B 187 24.992 -22.840 23.648 1.00 0.00 H new ATOM 0 HG21 ILE B 187 27.566 -25.085 22.039 1.00 0.00 H new ATOM 0 HG22 ILE B 187 28.528 -25.256 23.527 1.00 0.00 H new ATOM 0 HG23 ILE B 187 26.887 -25.939 23.445 1.00 0.00 H new ATOM 0 HD11 ILE B 187 24.634 -23.020 21.197 1.00 0.00 H new ATOM 0 HD12 ILE B 187 26.185 -22.219 21.543 1.00 0.00 H new ATOM 0 HD13 ILE B 187 26.158 -23.925 21.036 1.00 0.00 H new ATOM 755 N TRP B 188 29.037 -22.854 25.809 1.00 0.00 N ATOM 756 CA TRP B 188 30.441 -22.909 26.331 1.00 0.00 C ATOM 757 C TRP B 188 30.440 -23.440 27.764 1.00 0.00 C ATOM 758 O TRP B 188 31.324 -24.216 28.143 1.00 0.00 O ATOM 759 CB TRP B 188 31.077 -21.514 26.288 1.00 0.00 C ATOM 760 CG TRP B 188 32.543 -21.610 26.578 1.00 0.00 C ATOM 761 CD1 TRP B 188 33.514 -21.709 25.640 1.00 0.00 C ATOM 762 CD2 TRP B 188 33.218 -21.620 27.868 1.00 0.00 C ATOM 763 NE1 TRP B 188 34.742 -21.775 26.273 1.00 0.00 N ATOM 764 CE2 TRP B 188 34.612 -21.726 27.646 1.00 0.00 C ATOM 765 CE3 TRP B 188 32.763 -21.549 29.198 1.00 0.00 C ATOM 766 CZ2 TRP B 188 35.521 -21.758 28.704 1.00 0.00 C ATOM 767 CZ3 TRP B 188 33.676 -21.582 30.266 1.00 0.00 C ATOM 768 CH2 TRP B 188 35.052 -21.687 30.019 1.00 0.00 C ATOM 0 H TRP B 188 28.728 -21.932 25.503 1.00 0.00 H new ATOM 0 HA TRP B 188 31.026 -23.580 25.702 1.00 0.00 H new ATOM 0 HB2 TRP B 188 30.921 -21.064 25.308 1.00 0.00 H new ATOM 0 HB3 TRP B 188 30.595 -20.863 27.018 1.00 0.00 H new ATOM 0 HD1 TRP B 188 33.356 -21.733 24.572 1.00 0.00 H new ATOM 0 HE1 TRP B 188 35.634 -21.851 25.785 1.00 0.00 H new ATOM 0 HE3 TRP B 188 31.705 -21.469 29.399 1.00 0.00 H new ATOM 0 HZ2 TRP B 188 36.580 -21.837 28.508 1.00 0.00 H new ATOM 0 HZ3 TRP B 188 33.316 -21.526 31.283 1.00 0.00 H new ATOM 0 HH2 TRP B 188 35.749 -21.713 30.844 1.00 0.00 H new ATOM 779 N LYS B 189 29.480 -23.031 28.561 1.00 0.00 N ATOM 780 CA LYS B 189 29.414 -23.489 29.986 1.00 0.00 C ATOM 781 C LYS B 189 28.848 -24.910 30.074 1.00 0.00 C ATOM 782 O LYS B 189 29.140 -25.634 31.031 1.00 0.00 O ATOM 783 CB LYS B 189 28.527 -22.540 30.797 1.00 0.00 C ATOM 784 CG LYS B 189 28.747 -22.777 32.293 1.00 0.00 C ATOM 785 CD LYS B 189 27.840 -21.841 33.098 1.00 0.00 C ATOM 786 CE LYS B 189 28.184 -21.939 34.588 1.00 0.00 C ATOM 787 NZ LYS B 189 27.936 -23.327 35.074 1.00 0.00 N ATOM 0 H LYS B 189 28.734 -22.394 28.282 1.00 0.00 H new ATOM 0 HA LYS B 189 30.425 -23.487 30.393 1.00 0.00 H new ATOM 0 HB2 LYS B 189 28.760 -21.505 30.545 1.00 0.00 H new ATOM 0 HB3 LYS B 189 27.479 -22.701 30.544 1.00 0.00 H new ATOM 0 HG2 LYS B 189 28.529 -23.815 32.543 1.00 0.00 H new ATOM 0 HG3 LYS B 189 29.791 -22.599 32.550 1.00 0.00 H new ATOM 0 HD2 LYS B 189 27.964 -20.814 32.754 1.00 0.00 H new ATOM 0 HD3 LYS B 189 26.795 -22.106 32.938 1.00 0.00 H new ATOM 0 HE2 LYS B 189 29.228 -21.669 34.748 1.00 0.00 H new ATOM 0 HE3 LYS B 189 27.581 -21.232 35.157 1.00 0.00 H new ATOM 0 HZ1 LYS B 189 27.956 -23.340 36.114 1.00 0.00 H new ATOM 0 HZ2 LYS B 189 27.005 -23.650 34.742 1.00 0.00 H new ATOM 0 HZ3 LYS B 189 28.674 -23.961 34.706 1.00 0.00 H new ATOM 801 N LYS B 190 28.030 -25.311 29.122 1.00 0.00 N ATOM 802 CA LYS B 190 27.414 -26.681 29.167 1.00 0.00 C ATOM 803 C LYS B 190 28.068 -27.632 28.158 1.00 0.00 C ATOM 804 O LYS B 190 27.570 -28.747 27.963 1.00 0.00 O ATOM 805 CB LYS B 190 25.920 -26.580 28.864 1.00 0.00 C ATOM 806 CG LYS B 190 25.198 -25.931 30.047 1.00 0.00 C ATOM 807 CD LYS B 190 23.737 -25.688 29.672 1.00 0.00 C ATOM 808 CE LYS B 190 22.987 -25.120 30.878 1.00 0.00 C ATOM 809 NZ LYS B 190 21.567 -24.861 30.504 1.00 0.00 N ATOM 0 H LYS B 190 27.763 -24.747 28.315 1.00 0.00 H new ATOM 0 HA LYS B 190 27.574 -27.084 30.167 1.00 0.00 H new ATOM 0 HB2 LYS B 190 25.761 -25.991 27.961 1.00 0.00 H new ATOM 0 HB3 LYS B 190 25.509 -27.572 28.674 1.00 0.00 H new ATOM 0 HG2 LYS B 190 25.258 -26.576 30.924 1.00 0.00 H new ATOM 0 HG3 LYS B 190 25.680 -24.989 30.310 1.00 0.00 H new ATOM 0 HD2 LYS B 190 23.677 -24.994 28.833 1.00 0.00 H new ATOM 0 HD3 LYS B 190 23.274 -26.620 29.349 1.00 0.00 H new ATOM 0 HE2 LYS B 190 23.033 -25.821 31.711 1.00 0.00 H new ATOM 0 HE3 LYS B 190 23.460 -24.197 31.212 1.00 0.00 H new ATOM 0 HZ1 LYS B 190 21.057 -24.475 31.324 1.00 0.00 H new ATOM 0 HZ2 LYS B 190 21.533 -24.177 29.722 1.00 0.00 H new ATOM 0 HZ3 LYS B 190 21.119 -25.751 30.205 1.00 0.00 H new ATOM 823 N MET B 191 29.155 -27.241 27.522 1.00 0.00 N ATOM 824 CA MET B 191 29.821 -28.153 26.531 1.00 0.00 C ATOM 825 C MET B 191 31.054 -28.809 27.173 1.00 0.00 C ATOM 826 O MET B 191 32.032 -29.121 26.484 1.00 0.00 O ATOM 827 CB MET B 191 30.201 -27.381 25.249 1.00 0.00 C ATOM 828 CG MET B 191 31.291 -26.336 25.529 1.00 0.00 C ATOM 829 SD MET B 191 31.707 -25.470 23.990 1.00 0.00 S ATOM 830 CE MET B 191 32.407 -26.874 23.082 1.00 0.00 C ATOM 0 H MET B 191 29.606 -26.335 27.647 1.00 0.00 H new ATOM 0 HA MET B 191 29.122 -28.939 26.246 1.00 0.00 H new ATOM 0 HB2 MET B 191 30.552 -28.081 24.491 1.00 0.00 H new ATOM 0 HB3 MET B 191 29.317 -26.888 24.843 1.00 0.00 H new ATOM 0 HG2 MET B 191 30.943 -25.624 26.277 1.00 0.00 H new ATOM 0 HG3 MET B 191 32.178 -26.820 25.938 1.00 0.00 H new ATOM 0 HE1 MET B 191 33.156 -26.514 22.377 1.00 0.00 H new ATOM 0 HE2 MET B 191 32.872 -27.566 23.784 1.00 0.00 H new ATOM 0 HE3 MET B 191 31.614 -27.387 22.538 1.00 0.00 H new