USER MOD reduce.3.24.130724 H: found=0, std=0, add=313, rem=0, adj=11 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= -0.245 X(o=-0.25,f=0) USER MOD Single : A 172 THR OG1 : rot 180:sc= 0 USER MOD Single : A 174 THR OG1 : rot 180:sc= -0.0525 USER MOD Single : A 182 THR OG1 : rot 91:sc= 1.18 USER MOD Single : A 184 SER OG : rot 180:sc= 0 USER MOD Single : A 186 THR OG1 : rot 180:sc=1.87e-05 USER MOD Single : B 172 THR OG1 : rot 37:sc= 0.247 USER MOD Single : B 174 THR OG1 : rot 180:sc= 0 USER MOD Single : B 182 THR OG1 : rot -96:sc= 1.16 USER MOD Single : B 184 SER OG : rot 180:sc= 0 USER MOD Single : B 186 THR OG1 : rot 180:sc= 0.00705 USER MOD Single : B 189 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 190 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0825) USER MOD Single : B 191 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 76 N GLN A 171 6.503 -13.399 16.877 1.00 0.00 N ATOM 77 CA GLN A 171 7.703 -13.258 15.990 1.00 0.00 C ATOM 78 C GLN A 171 8.971 -13.122 16.838 1.00 0.00 C ATOM 79 O GLN A 171 10.018 -13.683 16.496 1.00 0.00 O ATOM 80 CB GLN A 171 7.543 -12.044 15.058 1.00 0.00 C ATOM 81 CG GLN A 171 7.410 -10.744 15.872 1.00 0.00 C ATOM 82 CD GLN A 171 7.118 -9.543 14.960 1.00 0.00 C ATOM 83 OE1 GLN A 171 6.383 -8.638 15.353 1.00 0.00 O ATOM 84 NE2 GLN A 171 7.656 -9.468 13.769 1.00 0.00 N ATOM 0 HA GLN A 171 7.790 -14.153 15.374 1.00 0.00 H new ATOM 0 HB2 GLN A 171 8.403 -11.975 14.392 1.00 0.00 H new ATOM 0 HB3 GLN A 171 6.663 -12.176 14.429 1.00 0.00 H new ATOM 0 HG2 GLN A 171 6.609 -10.851 16.604 1.00 0.00 H new ATOM 0 HG3 GLN A 171 8.330 -10.565 16.429 1.00 0.00 H new ATOM 0 HE21 GLN A 171 8.266 -10.215 13.437 1.00 0.00 H new ATOM 0 HE22 GLN A 171 7.465 -8.663 13.173 1.00 0.00 H new ATOM 93 N THR A 172 8.898 -12.378 17.920 1.00 0.00 N ATOM 94 CA THR A 172 10.090 -12.171 18.803 1.00 0.00 C ATOM 95 C THR A 172 10.500 -13.487 19.461 1.00 0.00 C ATOM 96 O THR A 172 11.689 -13.816 19.509 1.00 0.00 O ATOM 97 CB THR A 172 9.762 -11.138 19.885 1.00 0.00 C ATOM 98 OG1 THR A 172 9.157 -10.003 19.283 1.00 0.00 O ATOM 99 CG2 THR A 172 11.047 -10.711 20.597 1.00 0.00 C ATOM 0 H THR A 172 8.052 -11.901 18.230 1.00 0.00 H new ATOM 0 HA THR A 172 10.917 -11.808 18.192 1.00 0.00 H new ATOM 0 HB THR A 172 9.077 -11.578 20.610 1.00 0.00 H new ATOM 0 HG1 THR A 172 8.944 -9.341 19.973 1.00 0.00 H new ATOM 0 HG21 THR A 172 10.810 -9.976 21.366 1.00 0.00 H new ATOM 0 HG22 THR A 172 11.514 -11.581 21.058 1.00 0.00 H new ATOM 0 HG23 THR A 172 11.734 -10.271 19.874 1.00 0.00 H new ATOM 107 N VAL A 173 9.550 -14.227 19.985 1.00 0.00 N ATOM 108 CA VAL A 173 9.875 -15.522 20.666 1.00 0.00 C ATOM 109 C VAL A 173 10.368 -16.555 19.649 1.00 0.00 C ATOM 110 O VAL A 173 11.332 -17.279 19.915 1.00 0.00 O ATOM 111 CB VAL A 173 8.651 -16.065 21.424 1.00 0.00 C ATOM 112 CG1 VAL A 173 8.254 -15.076 22.524 1.00 0.00 C ATOM 113 CG2 VAL A 173 7.470 -16.257 20.465 1.00 0.00 C ATOM 0 H VAL A 173 8.559 -13.988 19.970 1.00 0.00 H new ATOM 0 HA VAL A 173 10.670 -15.334 21.387 1.00 0.00 H new ATOM 0 HB VAL A 173 8.909 -17.028 21.865 1.00 0.00 H new ATOM 0 HG11 VAL A 173 7.387 -15.459 23.062 1.00 0.00 H new ATOM 0 HG12 VAL A 173 9.085 -14.951 23.218 1.00 0.00 H new ATOM 0 HG13 VAL A 173 8.007 -14.114 22.076 1.00 0.00 H new ATOM 0 HG21 VAL A 173 6.612 -16.642 21.017 1.00 0.00 H new ATOM 0 HG22 VAL A 173 7.210 -15.300 20.011 1.00 0.00 H new ATOM 0 HG23 VAL A 173 7.747 -16.966 19.684 1.00 0.00 H new ATOM 123 N THR A 174 9.713 -16.657 18.511 1.00 0.00 N ATOM 124 CA THR A 174 10.119 -17.669 17.484 1.00 0.00 C ATOM 125 C THR A 174 11.507 -17.356 16.932 1.00 0.00 C ATOM 126 O THR A 174 12.326 -18.267 16.766 1.00 0.00 O ATOM 127 CB THR A 174 9.106 -17.682 16.334 1.00 0.00 C ATOM 128 OG1 THR A 174 8.822 -16.346 15.944 1.00 0.00 O ATOM 129 CG2 THR A 174 7.817 -18.370 16.787 1.00 0.00 C ATOM 0 H THR A 174 8.913 -16.080 18.252 1.00 0.00 H new ATOM 0 HA THR A 174 10.144 -18.648 17.963 1.00 0.00 H new ATOM 0 HB THR A 174 9.524 -18.229 15.489 1.00 0.00 H new ATOM 0 HG1 THR A 174 8.176 -16.351 15.207 1.00 0.00 H new ATOM 0 HG21 THR A 174 7.100 -18.377 15.966 1.00 0.00 H new ATOM 0 HG22 THR A 174 8.037 -19.395 17.085 1.00 0.00 H new ATOM 0 HG23 THR A 174 7.394 -17.829 17.634 1.00 0.00 H new ATOM 137 N ILE A 175 11.790 -16.104 16.634 1.00 0.00 N ATOM 138 CA ILE A 175 13.133 -15.743 16.076 1.00 0.00 C ATOM 139 C ILE A 175 14.213 -15.986 17.141 1.00 0.00 C ATOM 140 O ILE A 175 15.308 -16.467 16.831 1.00 0.00 O ATOM 141 CB ILE A 175 13.129 -14.271 15.557 1.00 0.00 C ATOM 142 CG1 ILE A 175 14.189 -14.112 14.452 1.00 0.00 C ATOM 143 CG2 ILE A 175 13.409 -13.255 16.684 1.00 0.00 C ATOM 144 CD1 ILE A 175 13.673 -14.736 13.147 1.00 0.00 C ATOM 0 H ILE A 175 11.148 -15.321 16.754 1.00 0.00 H new ATOM 0 HA ILE A 175 13.362 -16.378 15.220 1.00 0.00 H new ATOM 0 HB ILE A 175 12.134 -14.064 15.163 1.00 0.00 H new ATOM 0 HG12 ILE A 175 14.413 -13.056 14.298 1.00 0.00 H new ATOM 0 HG13 ILE A 175 15.119 -14.594 14.754 1.00 0.00 H new ATOM 0 HG21 ILE A 175 13.396 -12.245 16.275 1.00 0.00 H new ATOM 0 HG22 ILE A 175 12.642 -13.345 17.453 1.00 0.00 H new ATOM 0 HG23 ILE A 175 14.387 -13.457 17.121 1.00 0.00 H new ATOM 0 HD11 ILE A 175 14.425 -14.622 12.367 1.00 0.00 H new ATOM 0 HD12 ILE A 175 13.472 -15.796 13.305 1.00 0.00 H new ATOM 0 HD13 ILE A 175 12.755 -14.234 12.842 1.00 0.00 H new ATOM 156 N PHE A 176 13.919 -15.643 18.376 1.00 0.00 N ATOM 157 CA PHE A 176 14.907 -15.819 19.487 1.00 0.00 C ATOM 158 C PHE A 176 15.262 -17.297 19.628 1.00 0.00 C ATOM 159 O PHE A 176 16.441 -17.652 19.741 1.00 0.00 O ATOM 160 CB PHE A 176 14.302 -15.309 20.809 1.00 0.00 C ATOM 161 CG PHE A 176 15.390 -14.813 21.751 1.00 0.00 C ATOM 162 CD1 PHE A 176 16.366 -15.694 22.241 1.00 0.00 C ATOM 163 CD2 PHE A 176 15.410 -13.467 22.140 1.00 0.00 C ATOM 164 CE1 PHE A 176 17.356 -15.226 23.113 1.00 0.00 C ATOM 165 CE2 PHE A 176 16.400 -13.000 23.009 1.00 0.00 C ATOM 166 CZ PHE A 176 17.374 -13.879 23.496 1.00 0.00 C ATOM 0 H PHE A 176 13.025 -15.244 18.662 1.00 0.00 H new ATOM 0 HA PHE A 176 15.807 -15.249 19.258 1.00 0.00 H new ATOM 0 HB2 PHE A 176 13.598 -14.502 20.604 1.00 0.00 H new ATOM 0 HB3 PHE A 176 13.738 -16.110 21.288 1.00 0.00 H new ATOM 0 HD1 PHE A 176 16.353 -16.733 21.946 1.00 0.00 H new ATOM 0 HD2 PHE A 176 14.658 -12.788 21.767 1.00 0.00 H new ATOM 0 HE1 PHE A 176 18.107 -15.904 23.491 1.00 0.00 H new ATOM 0 HE2 PHE A 176 16.413 -11.961 23.305 1.00 0.00 H new ATOM 0 HZ PHE A 176 18.140 -13.519 24.167 1.00 0.00 H new ATOM 176 N VAL A 177 14.268 -18.161 19.636 1.00 0.00 N ATOM 177 CA VAL A 177 14.529 -19.629 19.780 1.00 0.00 C ATOM 178 C VAL A 177 15.277 -20.123 18.539 1.00 0.00 C ATOM 179 O VAL A 177 16.199 -20.938 18.650 1.00 0.00 O ATOM 180 CB VAL A 177 13.203 -20.398 19.975 1.00 0.00 C ATOM 181 CG1 VAL A 177 13.479 -21.898 20.147 1.00 0.00 C ATOM 182 CG2 VAL A 177 12.493 -19.880 21.231 1.00 0.00 C ATOM 0 H VAL A 177 13.284 -17.908 19.548 1.00 0.00 H new ATOM 0 HA VAL A 177 15.143 -19.809 20.662 1.00 0.00 H new ATOM 0 HB VAL A 177 12.576 -20.243 19.097 1.00 0.00 H new ATOM 0 HG11 VAL A 177 12.536 -22.428 20.284 1.00 0.00 H new ATOM 0 HG12 VAL A 177 13.984 -22.279 19.260 1.00 0.00 H new ATOM 0 HG13 VAL A 177 14.113 -22.054 21.020 1.00 0.00 H new ATOM 0 HG21 VAL A 177 11.557 -20.422 21.370 1.00 0.00 H new ATOM 0 HG22 VAL A 177 13.133 -20.033 22.100 1.00 0.00 H new ATOM 0 HG23 VAL A 177 12.283 -18.816 21.118 1.00 0.00 H new ATOM 192 N ALA A 178 14.908 -19.640 17.372 1.00 0.00 N ATOM 193 CA ALA A 178 15.598 -20.065 16.115 1.00 0.00 C ATOM 194 C ALA A 178 17.056 -19.612 16.160 1.00 0.00 C ATOM 195 O ALA A 178 17.942 -20.312 15.662 1.00 0.00 O ATOM 196 CB ALA A 178 14.902 -19.449 14.898 1.00 0.00 C ATOM 0 H ALA A 178 14.154 -18.966 17.240 1.00 0.00 H new ATOM 0 HA ALA A 178 15.555 -21.151 16.032 1.00 0.00 H new ATOM 0 HB1 ALA A 178 15.413 -19.765 13.988 1.00 0.00 H new ATOM 0 HB2 ALA A 178 13.864 -19.781 14.866 1.00 0.00 H new ATOM 0 HB3 ALA A 178 14.933 -18.362 14.973 1.00 0.00 H new ATOM 202 N GLY A 179 17.319 -18.458 16.742 1.00 0.00 N ATOM 203 CA GLY A 179 18.722 -17.941 16.827 1.00 0.00 C ATOM 204 C GLY A 179 19.564 -18.882 17.683 1.00 0.00 C ATOM 205 O GLY A 179 20.716 -19.171 17.342 1.00 0.00 O ATOM 0 H GLY A 179 16.614 -17.852 17.163 1.00 0.00 H new ATOM 0 HA2 GLY A 179 19.151 -17.860 15.828 1.00 0.00 H new ATOM 0 HA3 GLY A 179 18.726 -16.940 17.258 1.00 0.00 H new ATOM 209 N VAL A 180 19.014 -19.368 18.777 1.00 0.00 N ATOM 210 CA VAL A 180 19.772 -20.304 19.665 1.00 0.00 C ATOM 211 C VAL A 180 20.023 -21.601 18.893 1.00 0.00 C ATOM 212 O VAL A 180 21.131 -22.149 18.920 1.00 0.00 O ATOM 213 CB VAL A 180 18.961 -20.588 20.948 1.00 0.00 C ATOM 214 CG1 VAL A 180 19.729 -21.545 21.870 1.00 0.00 C ATOM 215 CG2 VAL A 180 18.706 -19.275 21.698 1.00 0.00 C ATOM 0 H VAL A 180 18.068 -19.153 19.091 1.00 0.00 H new ATOM 0 HA VAL A 180 20.723 -19.859 19.958 1.00 0.00 H new ATOM 0 HB VAL A 180 18.014 -21.047 20.663 1.00 0.00 H new ATOM 0 HG11 VAL A 180 19.142 -21.734 22.769 1.00 0.00 H new ATOM 0 HG12 VAL A 180 19.908 -22.486 21.350 1.00 0.00 H new ATOM 0 HG13 VAL A 180 20.683 -21.096 22.147 1.00 0.00 H new ATOM 0 HG21 VAL A 180 18.133 -19.478 22.603 1.00 0.00 H new ATOM 0 HG22 VAL A 180 19.659 -18.818 21.966 1.00 0.00 H new ATOM 0 HG23 VAL A 180 18.144 -18.594 21.059 1.00 0.00 H new ATOM 225 N LEU A 181 19.011 -22.095 18.216 1.00 0.00 N ATOM 226 CA LEU A 181 19.150 -23.362 17.436 1.00 0.00 C ATOM 227 C LEU A 181 20.200 -23.170 16.346 1.00 0.00 C ATOM 228 O LEU A 181 21.043 -24.043 16.122 1.00 0.00 O ATOM 229 CB LEU A 181 17.802 -23.709 16.781 1.00 0.00 C ATOM 230 CG LEU A 181 17.683 -25.243 16.536 1.00 0.00 C ATOM 231 CD1 LEU A 181 16.820 -25.882 17.632 1.00 0.00 C ATOM 232 CD2 LEU A 181 17.032 -25.510 15.168 1.00 0.00 C ATOM 0 H LEU A 181 18.086 -21.667 18.172 1.00 0.00 H new ATOM 0 HA LEU A 181 19.453 -24.169 18.103 1.00 0.00 H new ATOM 0 HB2 LEU A 181 16.985 -23.374 17.420 1.00 0.00 H new ATOM 0 HB3 LEU A 181 17.705 -23.177 15.835 1.00 0.00 H new ATOM 0 HG LEU A 181 18.683 -25.677 16.555 1.00 0.00 H new ATOM 0 HD11 LEU A 181 16.741 -26.954 17.454 1.00 0.00 H new ATOM 0 HD12 LEU A 181 17.280 -25.708 18.605 1.00 0.00 H new ATOM 0 HD13 LEU A 181 15.825 -25.438 17.617 1.00 0.00 H new ATOM 0 HD21 LEU A 181 16.953 -26.585 15.006 1.00 0.00 H new ATOM 0 HD22 LEU A 181 16.037 -25.066 15.146 1.00 0.00 H new ATOM 0 HD23 LEU A 181 17.644 -25.069 14.381 1.00 0.00 H new ATOM 244 N THR A 182 20.158 -22.046 15.670 1.00 0.00 N ATOM 245 CA THR A 182 21.136 -21.764 14.576 1.00 0.00 C ATOM 246 C THR A 182 22.547 -21.759 15.145 1.00 0.00 C ATOM 247 O THR A 182 23.475 -22.293 14.528 1.00 0.00 O ATOM 248 CB THR A 182 20.834 -20.406 13.935 1.00 0.00 C ATOM 249 OG1 THR A 182 19.446 -20.320 13.644 1.00 0.00 O ATOM 250 CG2 THR A 182 21.637 -20.258 12.642 1.00 0.00 C ATOM 0 H THR A 182 19.478 -21.304 15.834 1.00 0.00 H new ATOM 0 HA THR A 182 21.052 -22.540 13.815 1.00 0.00 H new ATOM 0 HB THR A 182 21.112 -19.609 14.625 1.00 0.00 H new ATOM 0 HG1 THR A 182 18.974 -19.933 14.411 1.00 0.00 H new ATOM 0 HG21 THR A 182 21.420 -19.291 12.188 1.00 0.00 H new ATOM 0 HG22 THR A 182 22.702 -20.324 12.865 1.00 0.00 H new ATOM 0 HG23 THR A 182 21.362 -21.054 11.950 1.00 0.00 H new ATOM 258 N ALA A 183 22.726 -21.160 16.300 1.00 0.00 N ATOM 259 CA ALA A 183 24.080 -21.097 16.926 1.00 0.00 C ATOM 260 C ALA A 183 24.623 -22.505 17.134 1.00 0.00 C ATOM 261 O ALA A 183 25.826 -22.737 16.973 1.00 0.00 O ATOM 262 CB ALA A 183 24.013 -20.361 18.265 1.00 0.00 C ATOM 0 H ALA A 183 21.985 -20.710 16.837 1.00 0.00 H new ATOM 0 HA ALA A 183 24.748 -20.551 16.260 1.00 0.00 H new ATOM 0 HB1 ALA A 183 25.008 -20.323 18.709 1.00 0.00 H new ATOM 0 HB2 ALA A 183 23.648 -19.346 18.105 1.00 0.00 H new ATOM 0 HB3 ALA A 183 23.335 -20.888 18.937 1.00 0.00 H new ATOM 268 N SER A 184 23.771 -23.444 17.478 1.00 0.00 N ATOM 269 CA SER A 184 24.233 -24.848 17.691 1.00 0.00 C ATOM 270 C SER A 184 24.849 -25.363 16.392 1.00 0.00 C ATOM 271 O SER A 184 25.950 -25.923 16.391 1.00 0.00 O ATOM 272 CB SER A 184 23.051 -25.735 18.095 1.00 0.00 C ATOM 273 OG SER A 184 22.956 -25.770 19.513 1.00 0.00 O ATOM 0 H SER A 184 22.772 -23.294 17.620 1.00 0.00 H new ATOM 0 HA SER A 184 24.975 -24.874 18.489 1.00 0.00 H new ATOM 0 HB2 SER A 184 22.127 -25.348 17.666 1.00 0.00 H new ATOM 0 HB3 SER A 184 23.186 -26.743 17.703 1.00 0.00 H new ATOM 0 HG SER A 184 22.200 -26.335 19.776 1.00 0.00 H new ATOM 279 N LEU A 185 24.149 -25.190 15.294 1.00 0.00 N ATOM 280 CA LEU A 185 24.650 -25.669 13.964 1.00 0.00 C ATOM 281 C LEU A 185 25.925 -24.927 13.552 1.00 0.00 C ATOM 282 O LEU A 185 26.848 -25.540 13.006 1.00 0.00 O ATOM 283 CB LEU A 185 23.563 -25.457 12.881 1.00 0.00 C ATOM 284 CG LEU A 185 22.462 -26.549 12.914 1.00 0.00 C ATOM 285 CD1 LEU A 185 23.050 -27.935 12.616 1.00 0.00 C ATOM 286 CD2 LEU A 185 21.753 -26.569 14.275 1.00 0.00 C ATOM 0 H LEU A 185 23.239 -24.731 15.263 1.00 0.00 H new ATOM 0 HA LEU A 185 24.879 -26.731 14.056 1.00 0.00 H new ATOM 0 HB2 LEU A 185 23.103 -24.479 13.021 1.00 0.00 H new ATOM 0 HB3 LEU A 185 24.033 -25.450 11.897 1.00 0.00 H new ATOM 0 HG LEU A 185 21.735 -26.305 12.140 1.00 0.00 H new ATOM 0 HD11 LEU A 185 22.256 -28.681 12.646 1.00 0.00 H new ATOM 0 HD12 LEU A 185 23.507 -27.931 11.627 1.00 0.00 H new ATOM 0 HD13 LEU A 185 23.805 -28.178 13.364 1.00 0.00 H new ATOM 0 HD21 LEU A 185 20.985 -27.343 14.274 1.00 0.00 H new ATOM 0 HD22 LEU A 185 22.479 -26.779 15.060 1.00 0.00 H new ATOM 0 HD23 LEU A 185 21.291 -25.599 14.459 1.00 0.00 H new ATOM 298 N THR A 186 25.980 -23.625 13.758 1.00 0.00 N ATOM 299 CA THR A 186 27.180 -22.830 13.334 1.00 0.00 C ATOM 300 C THR A 186 28.393 -23.188 14.193 1.00 0.00 C ATOM 301 O THR A 186 29.485 -23.412 13.662 1.00 0.00 O ATOM 302 CB THR A 186 26.878 -21.328 13.461 1.00 0.00 C ATOM 303 OG1 THR A 186 25.525 -21.091 13.100 1.00 0.00 O ATOM 304 CG2 THR A 186 27.796 -20.518 12.535 1.00 0.00 C ATOM 0 H THR A 186 25.241 -23.080 14.203 1.00 0.00 H new ATOM 0 HA THR A 186 27.407 -23.069 12.295 1.00 0.00 H new ATOM 0 HB THR A 186 27.051 -21.018 14.492 1.00 0.00 H new ATOM 0 HG1 THR A 186 25.327 -20.135 13.181 1.00 0.00 H new ATOM 0 HG21 THR A 186 27.570 -19.457 12.636 1.00 0.00 H new ATOM 0 HG22 THR A 186 28.836 -20.695 12.808 1.00 0.00 H new ATOM 0 HG23 THR A 186 27.635 -20.826 11.502 1.00 0.00 H new ATOM 312 N ILE A 187 28.230 -23.232 15.497 1.00 0.00 N ATOM 313 CA ILE A 187 29.380 -23.560 16.405 1.00 0.00 C ATOM 314 C ILE A 187 29.805 -25.011 16.187 1.00 0.00 C ATOM 315 O ILE A 187 31.001 -25.300 16.073 1.00 0.00 O ATOM 316 CB ILE A 187 28.989 -23.343 17.882 1.00 0.00 C ATOM 317 CG1 ILE A 187 28.484 -21.903 18.087 1.00 0.00 C ATOM 318 CG2 ILE A 187 30.211 -23.580 18.785 1.00 0.00 C ATOM 319 CD1 ILE A 187 27.716 -21.809 19.408 1.00 0.00 C ATOM 0 H ILE A 187 27.346 -23.054 15.973 1.00 0.00 H new ATOM 0 HA ILE A 187 30.212 -22.897 16.170 1.00 0.00 H new ATOM 0 HB ILE A 187 28.198 -24.047 18.142 1.00 0.00 H new ATOM 0 HG12 ILE A 187 29.325 -21.210 18.094 1.00 0.00 H new ATOM 0 HG13 ILE A 187 27.838 -21.612 17.258 1.00 0.00 H new ATOM 0 HG21 ILE A 187 29.929 -23.425 19.827 1.00 0.00 H new ATOM 0 HG22 ILE A 187 30.568 -24.601 18.653 1.00 0.00 H new ATOM 0 HG23 ILE A 187 31.003 -22.881 18.516 1.00 0.00 H new ATOM 0 HD11 ILE A 187 27.360 -20.789 19.550 1.00 0.00 H new ATOM 0 HD12 ILE A 187 26.865 -22.490 19.384 1.00 0.00 H new ATOM 0 HD13 ILE A 187 28.375 -22.081 20.232 1.00 0.00 H new ATOM 331 N TRP A 188 28.859 -25.923 16.148 1.00 0.00 N ATOM 332 CA TRP A 188 29.199 -27.368 15.960 1.00 0.00 C ATOM 333 C TRP A 188 29.969 -27.546 14.654 1.00 0.00 C ATOM 334 O TRP A 188 30.982 -28.251 14.615 1.00 0.00 O ATOM 335 CB TRP A 188 27.916 -28.209 15.926 1.00 0.00 C ATOM 336 CG TRP A 188 28.231 -29.641 16.233 1.00 0.00 C ATOM 337 CD1 TRP A 188 28.496 -30.593 15.311 1.00 0.00 C ATOM 338 CD2 TRP A 188 28.317 -30.292 17.533 1.00 0.00 C ATOM 339 NE1 TRP A 188 28.738 -31.789 15.961 1.00 0.00 N ATOM 340 CE2 TRP A 188 28.640 -31.655 17.332 1.00 0.00 C ATOM 341 CE3 TRP A 188 28.147 -29.839 18.854 1.00 0.00 C ATOM 342 CZ2 TRP A 188 28.790 -32.538 18.404 1.00 0.00 C ATOM 343 CZ3 TRP A 188 28.297 -30.724 19.934 1.00 0.00 C ATOM 344 CH2 TRP A 188 28.618 -32.070 19.710 1.00 0.00 C ATOM 0 H TRP A 188 27.863 -25.725 16.239 1.00 0.00 H new ATOM 0 HA TRP A 188 29.818 -27.701 16.793 1.00 0.00 H new ATOM 0 HB2 TRP A 188 27.199 -27.823 16.651 1.00 0.00 H new ATOM 0 HB3 TRP A 188 27.448 -28.134 14.944 1.00 0.00 H new ATOM 0 HD1 TRP A 188 28.516 -30.444 14.242 1.00 0.00 H new ATOM 0 HE1 TRP A 188 28.962 -32.663 15.486 1.00 0.00 H new ATOM 0 HE3 TRP A 188 27.900 -28.804 19.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 188 29.037 -33.574 18.225 1.00 0.00 H new ATOM 0 HZ3 TRP A 188 28.164 -30.365 20.944 1.00 0.00 H new ATOM 0 HH2 TRP A 188 28.732 -32.745 20.545 1.00 0.00 H new ATOM 517 N THR B 172 15.352 -7.363 13.938 1.00 0.00 N ATOM 518 CA THR B 172 15.608 -8.831 13.794 1.00 0.00 C ATOM 519 C THR B 172 17.096 -9.136 13.968 1.00 0.00 C ATOM 520 O THR B 172 17.454 -10.120 14.624 1.00 0.00 O ATOM 521 CB THR B 172 15.132 -9.307 12.414 1.00 0.00 C ATOM 522 OG1 THR B 172 13.796 -8.873 12.206 1.00 0.00 O ATOM 523 CG2 THR B 172 15.190 -10.840 12.319 1.00 0.00 C ATOM 0 HA THR B 172 15.054 -9.361 14.569 1.00 0.00 H new ATOM 0 HB THR B 172 15.787 -8.885 11.651 1.00 0.00 H new ATOM 0 HG1 THR B 172 13.678 -7.980 12.592 1.00 0.00 H new ATOM 0 HG21 THR B 172 14.849 -11.157 11.333 1.00 0.00 H new ATOM 0 HG22 THR B 172 16.216 -11.176 12.473 1.00 0.00 H new ATOM 0 HG23 THR B 172 14.547 -11.276 13.083 1.00 0.00 H new ATOM 531 N VAL B 173 17.966 -8.340 13.385 1.00 0.00 N ATOM 532 CA VAL B 173 19.435 -8.610 13.508 1.00 0.00 C ATOM 533 C VAL B 173 19.892 -8.383 14.948 1.00 0.00 C ATOM 534 O VAL B 173 20.723 -9.142 15.458 1.00 0.00 O ATOM 535 CB VAL B 173 20.251 -7.730 12.543 1.00 0.00 C ATOM 536 CG1 VAL B 173 19.898 -8.095 11.102 1.00 0.00 C ATOM 537 CG2 VAL B 173 19.940 -6.248 12.768 1.00 0.00 C ATOM 0 H VAL B 173 17.722 -7.519 12.832 1.00 0.00 H new ATOM 0 HA VAL B 173 19.610 -9.651 13.237 1.00 0.00 H new ATOM 0 HB VAL B 173 21.311 -7.903 12.729 1.00 0.00 H new ATOM 0 HG11 VAL B 173 20.475 -7.473 10.417 1.00 0.00 H new ATOM 0 HG12 VAL B 173 20.133 -9.144 10.924 1.00 0.00 H new ATOM 0 HG13 VAL B 173 18.834 -7.928 10.935 1.00 0.00 H new ATOM 0 HG21 VAL B 173 20.527 -5.644 12.076 1.00 0.00 H new ATOM 0 HG22 VAL B 173 18.879 -6.069 12.596 1.00 0.00 H new ATOM 0 HG23 VAL B 173 20.193 -5.975 13.793 1.00 0.00 H new ATOM 547 N THR B 174 19.387 -7.359 15.609 1.00 0.00 N ATOM 548 CA THR B 174 19.815 -7.081 17.017 1.00 0.00 C ATOM 549 C THR B 174 19.369 -8.216 17.939 1.00 0.00 C ATOM 550 O THR B 174 20.147 -8.669 18.787 1.00 0.00 O ATOM 551 CB THR B 174 19.205 -5.761 17.500 1.00 0.00 C ATOM 552 OG1 THR B 174 19.406 -4.759 16.513 1.00 0.00 O ATOM 553 CG2 THR B 174 19.877 -5.334 18.807 1.00 0.00 C ATOM 0 H THR B 174 18.699 -6.708 15.231 1.00 0.00 H new ATOM 0 HA THR B 174 20.902 -7.007 17.041 1.00 0.00 H new ATOM 0 HB THR B 174 18.137 -5.895 17.670 1.00 0.00 H new ATOM 0 HG1 THR B 174 19.015 -3.914 16.820 1.00 0.00 H new ATOM 0 HG21 THR B 174 19.442 -4.395 19.150 1.00 0.00 H new ATOM 0 HG22 THR B 174 19.722 -6.103 19.564 1.00 0.00 H new ATOM 0 HG23 THR B 174 20.946 -5.199 18.640 1.00 0.00 H new ATOM 561 N ILE B 175 18.145 -8.684 17.793 1.00 0.00 N ATOM 562 CA ILE B 175 17.650 -9.797 18.663 1.00 0.00 C ATOM 563 C ILE B 175 18.425 -11.085 18.353 1.00 0.00 C ATOM 564 O ILE B 175 18.727 -11.870 19.258 1.00 0.00 O ATOM 565 CB ILE B 175 16.120 -9.991 18.502 1.00 0.00 C ATOM 566 CG1 ILE B 175 15.604 -10.934 19.607 1.00 0.00 C ATOM 567 CG2 ILE B 175 15.771 -10.573 17.123 1.00 0.00 C ATOM 568 CD1 ILE B 175 15.453 -10.162 20.925 1.00 0.00 C ATOM 0 H ILE B 175 17.472 -8.340 17.108 1.00 0.00 H new ATOM 0 HA ILE B 175 17.828 -9.537 19.707 1.00 0.00 H new ATOM 0 HB ILE B 175 15.641 -9.016 18.588 1.00 0.00 H new ATOM 0 HG12 ILE B 175 14.645 -11.361 19.314 1.00 0.00 H new ATOM 0 HG13 ILE B 175 16.296 -11.766 19.740 1.00 0.00 H new ATOM 0 HG21 ILE B 175 14.691 -10.697 17.043 1.00 0.00 H new ATOM 0 HG22 ILE B 175 16.117 -9.894 16.343 1.00 0.00 H new ATOM 0 HG23 ILE B 175 16.257 -11.541 17.003 1.00 0.00 H new ATOM 0 HD11 ILE B 175 15.088 -10.835 21.701 1.00 0.00 H new ATOM 0 HD12 ILE B 175 16.420 -9.756 21.222 1.00 0.00 H new ATOM 0 HD13 ILE B 175 14.743 -9.346 20.789 1.00 0.00 H new ATOM 580 N PHE B 176 18.736 -11.315 17.092 1.00 0.00 N ATOM 581 CA PHE B 176 19.478 -12.555 16.695 1.00 0.00 C ATOM 582 C PHE B 176 20.824 -12.592 17.423 1.00 0.00 C ATOM 583 O PHE B 176 21.215 -13.629 17.966 1.00 0.00 O ATOM 584 CB PHE B 176 19.719 -12.566 15.163 1.00 0.00 C ATOM 585 CG PHE B 176 18.804 -13.563 14.472 1.00 0.00 C ATOM 586 CD1 PHE B 176 18.966 -14.934 14.702 1.00 0.00 C ATOM 587 CD2 PHE B 176 17.802 -13.115 13.600 1.00 0.00 C ATOM 588 CE1 PHE B 176 18.126 -15.856 14.064 1.00 0.00 C ATOM 589 CE2 PHE B 176 16.965 -14.037 12.964 1.00 0.00 C ATOM 590 CZ PHE B 176 17.126 -15.407 13.195 1.00 0.00 C ATOM 0 H PHE B 176 18.504 -10.690 16.320 1.00 0.00 H new ATOM 0 HA PHE B 176 18.886 -13.429 16.966 1.00 0.00 H new ATOM 0 HB2 PHE B 176 19.547 -11.569 14.758 1.00 0.00 H new ATOM 0 HB3 PHE B 176 20.759 -12.819 14.957 1.00 0.00 H new ATOM 0 HD1 PHE B 176 19.739 -15.281 15.372 1.00 0.00 H new ATOM 0 HD2 PHE B 176 17.677 -12.058 13.419 1.00 0.00 H new ATOM 0 HE1 PHE B 176 18.251 -16.914 14.243 1.00 0.00 H new ATOM 0 HE2 PHE B 176 16.193 -13.691 12.293 1.00 0.00 H new ATOM 0 HZ PHE B 176 16.479 -16.118 12.703 1.00 0.00 H new ATOM 600 N VAL B 177 21.542 -11.489 17.422 1.00 0.00 N ATOM 601 CA VAL B 177 22.885 -11.440 18.087 1.00 0.00 C ATOM 602 C VAL B 177 22.725 -11.686 19.591 1.00 0.00 C ATOM 603 O VAL B 177 23.553 -12.374 20.196 1.00 0.00 O ATOM 604 CB VAL B 177 23.573 -10.081 17.820 1.00 0.00 C ATOM 605 CG1 VAL B 177 24.963 -10.054 18.469 1.00 0.00 C ATOM 606 CG2 VAL B 177 23.735 -9.879 16.309 1.00 0.00 C ATOM 0 H VAL B 177 21.251 -10.615 16.985 1.00 0.00 H new ATOM 0 HA VAL B 177 23.519 -12.223 17.670 1.00 0.00 H new ATOM 0 HB VAL B 177 22.957 -9.288 18.244 1.00 0.00 H new ATOM 0 HG11 VAL B 177 25.437 -9.092 18.274 1.00 0.00 H new ATOM 0 HG12 VAL B 177 24.865 -10.199 19.545 1.00 0.00 H new ATOM 0 HG13 VAL B 177 25.576 -10.852 18.050 1.00 0.00 H new ATOM 0 HG21 VAL B 177 24.220 -8.921 16.120 1.00 0.00 H new ATOM 0 HG22 VAL B 177 24.346 -10.683 15.898 1.00 0.00 H new ATOM 0 HG23 VAL B 177 22.754 -9.889 15.833 1.00 0.00 H new ATOM 616 N ALA B 178 21.698 -11.137 20.203 1.00 0.00 N ATOM 617 CA ALA B 178 21.493 -11.332 21.674 1.00 0.00 C ATOM 618 C ALA B 178 21.233 -12.807 21.971 1.00 0.00 C ATOM 619 O ALA B 178 21.713 -13.333 22.981 1.00 0.00 O ATOM 620 CB ALA B 178 20.308 -10.492 22.155 1.00 0.00 C ATOM 0 H ALA B 178 20.992 -10.561 19.744 1.00 0.00 H new ATOM 0 HA ALA B 178 22.392 -11.013 22.201 1.00 0.00 H new ATOM 0 HB1 ALA B 178 20.167 -10.641 23.226 1.00 0.00 H new ATOM 0 HB2 ALA B 178 20.505 -9.438 21.958 1.00 0.00 H new ATOM 0 HB3 ALA B 178 19.406 -10.798 21.625 1.00 0.00 H new ATOM 626 N GLY B 179 20.481 -13.478 21.124 1.00 0.00 N ATOM 627 CA GLY B 179 20.172 -14.927 21.350 1.00 0.00 C ATOM 628 C GLY B 179 21.413 -15.784 21.094 1.00 0.00 C ATOM 629 O GLY B 179 21.681 -16.729 21.843 1.00 0.00 O ATOM 0 H GLY B 179 20.067 -13.079 20.282 1.00 0.00 H new ATOM 0 HA2 GLY B 179 19.824 -15.076 22.372 1.00 0.00 H new ATOM 0 HA3 GLY B 179 19.364 -15.240 20.689 1.00 0.00 H new ATOM 633 N VAL B 180 22.165 -15.482 20.054 1.00 0.00 N ATOM 634 CA VAL B 180 23.393 -16.283 19.734 1.00 0.00 C ATOM 635 C VAL B 180 24.454 -16.018 20.805 1.00 0.00 C ATOM 636 O VAL B 180 25.140 -16.943 21.251 1.00 0.00 O ATOM 637 CB VAL B 180 23.926 -15.898 18.337 1.00 0.00 C ATOM 638 CG1 VAL B 180 25.178 -16.720 17.993 1.00 0.00 C ATOM 639 CG2 VAL B 180 22.848 -16.172 17.280 1.00 0.00 C ATOM 0 H VAL B 180 21.978 -14.712 19.412 1.00 0.00 H new ATOM 0 HA VAL B 180 23.149 -17.345 19.725 1.00 0.00 H new ATOM 0 HB VAL B 180 24.182 -14.839 18.346 1.00 0.00 H new ATOM 0 HG11 VAL B 180 25.540 -16.435 17.005 1.00 0.00 H new ATOM 0 HG12 VAL B 180 25.954 -16.527 18.733 1.00 0.00 H new ATOM 0 HG13 VAL B 180 24.929 -17.781 17.996 1.00 0.00 H new ATOM 0 HG21 VAL B 180 23.227 -15.899 16.295 1.00 0.00 H new ATOM 0 HG22 VAL B 180 22.590 -17.231 17.289 1.00 0.00 H new ATOM 0 HG23 VAL B 180 21.960 -15.580 17.504 1.00 0.00 H new ATOM 649 N LEU B 181 24.605 -14.776 21.208 1.00 0.00 N ATOM 650 CA LEU B 181 25.628 -14.421 22.240 1.00 0.00 C ATOM 651 C LEU B 181 25.302 -15.145 23.543 1.00 0.00 C ATOM 652 O LEU B 181 26.198 -15.696 24.192 1.00 0.00 O ATOM 653 CB LEU B 181 25.638 -12.901 22.454 1.00 0.00 C ATOM 654 CG LEU B 181 26.877 -12.477 23.279 1.00 0.00 C ATOM 655 CD1 LEU B 181 27.256 -11.029 22.940 1.00 0.00 C ATOM 656 CD2 LEU B 181 26.565 -12.575 24.781 1.00 0.00 C ATOM 0 H LEU B 181 24.057 -13.988 20.861 1.00 0.00 H new ATOM 0 HA LEU B 181 26.617 -14.730 21.903 1.00 0.00 H new ATOM 0 HB2 LEU B 181 25.644 -12.392 21.490 1.00 0.00 H new ATOM 0 HB3 LEU B 181 24.728 -12.595 22.970 1.00 0.00 H new ATOM 0 HG LEU B 181 27.706 -13.141 23.034 1.00 0.00 H new ATOM 0 HD11 LEU B 181 28.129 -10.735 23.523 1.00 0.00 H new ATOM 0 HD12 LEU B 181 27.487 -10.953 21.878 1.00 0.00 H new ATOM 0 HD13 LEU B 181 26.422 -10.369 23.178 1.00 0.00 H new ATOM 0 HD21 LEU B 181 27.442 -12.275 25.355 1.00 0.00 H new ATOM 0 HD22 LEU B 181 25.730 -11.917 25.023 1.00 0.00 H new ATOM 0 HD23 LEU B 181 26.301 -13.603 25.032 1.00 0.00 H new ATOM 668 N THR B 182 24.043 -15.173 23.928 1.00 0.00 N ATOM 669 CA THR B 182 23.644 -15.879 25.187 1.00 0.00 C ATOM 670 C THR B 182 23.918 -17.369 25.016 1.00 0.00 C ATOM 671 O THR B 182 24.504 -18.008 25.896 1.00 0.00 O ATOM 672 CB THR B 182 22.147 -15.660 25.479 1.00 0.00 C ATOM 673 OG1 THR B 182 21.446 -15.490 24.254 1.00 0.00 O ATOM 674 CG2 THR B 182 21.949 -14.417 26.354 1.00 0.00 C ATOM 0 H THR B 182 23.275 -14.735 23.420 1.00 0.00 H new ATOM 0 HA THR B 182 24.219 -15.481 26.023 1.00 0.00 H new ATOM 0 HB THR B 182 21.761 -16.531 26.010 1.00 0.00 H new ATOM 0 HG1 THR B 182 21.340 -14.534 24.068 1.00 0.00 H new ATOM 0 HG21 THR B 182 20.886 -14.276 26.551 1.00 0.00 H new ATOM 0 HG22 THR B 182 22.479 -14.548 27.298 1.00 0.00 H new ATOM 0 HG23 THR B 182 22.341 -13.541 25.836 1.00 0.00 H new ATOM 682 N ALA B 183 23.507 -17.922 23.900 1.00 0.00 N ATOM 683 CA ALA B 183 23.731 -19.377 23.632 1.00 0.00 C ATOM 684 C ALA B 183 25.228 -19.674 23.639 1.00 0.00 C ATOM 685 O ALA B 183 25.651 -20.747 24.083 1.00 0.00 O ATOM 686 CB ALA B 183 23.137 -19.754 22.274 1.00 0.00 C ATOM 0 H ALA B 183 23.021 -17.421 23.156 1.00 0.00 H new ATOM 0 HA ALA B 183 23.242 -19.964 24.410 1.00 0.00 H new ATOM 0 HB1 ALA B 183 23.304 -20.815 22.086 1.00 0.00 H new ATOM 0 HB2 ALA B 183 22.066 -19.550 22.276 1.00 0.00 H new ATOM 0 HB3 ALA B 183 23.617 -19.167 21.491 1.00 0.00 H new ATOM 692 N SER B 184 26.033 -18.748 23.162 1.00 0.00 N ATOM 693 CA SER B 184 27.512 -18.953 23.132 1.00 0.00 C ATOM 694 C SER B 184 28.009 -19.203 24.556 1.00 0.00 C ATOM 695 O SER B 184 28.802 -20.117 24.796 1.00 0.00 O ATOM 696 CB SER B 184 28.197 -17.709 22.543 1.00 0.00 C ATOM 697 OG SER B 184 29.058 -18.107 21.484 1.00 0.00 O ATOM 0 H SER B 184 25.720 -17.852 22.790 1.00 0.00 H new ATOM 0 HA SER B 184 27.753 -19.813 22.507 1.00 0.00 H new ATOM 0 HB2 SER B 184 27.449 -17.007 22.175 1.00 0.00 H new ATOM 0 HB3 SER B 184 28.766 -17.192 23.316 1.00 0.00 H new ATOM 0 HG SER B 184 29.496 -17.317 21.104 1.00 0.00 H new ATOM 703 N LEU B 185 27.566 -18.392 25.490 1.00 0.00 N ATOM 704 CA LEU B 185 28.006 -18.529 26.919 1.00 0.00 C ATOM 705 C LEU B 185 27.539 -19.862 27.508 1.00 0.00 C ATOM 706 O LEU B 185 28.284 -20.503 28.257 1.00 0.00 O ATOM 707 CB LEU B 185 27.466 -17.363 27.779 1.00 0.00 C ATOM 708 CG LEU B 185 27.788 -16.002 27.134 1.00 0.00 C ATOM 709 CD1 LEU B 185 27.072 -14.893 27.907 1.00 0.00 C ATOM 710 CD2 LEU B 185 29.296 -15.743 27.168 1.00 0.00 C ATOM 0 H LEU B 185 26.909 -17.630 25.321 1.00 0.00 H new ATOM 0 HA LEU B 185 29.096 -18.499 26.931 1.00 0.00 H new ATOM 0 HB2 LEU B 185 26.388 -17.465 27.900 1.00 0.00 H new ATOM 0 HB3 LEU B 185 27.904 -17.409 28.776 1.00 0.00 H new ATOM 0 HG LEU B 185 27.450 -16.014 26.098 1.00 0.00 H new ATOM 0 HD11 LEU B 185 27.298 -13.928 27.453 1.00 0.00 H new ATOM 0 HD12 LEU B 185 25.996 -15.065 27.877 1.00 0.00 H new ATOM 0 HD13 LEU B 185 27.411 -14.894 28.943 1.00 0.00 H new ATOM 0 HD21 LEU B 185 29.510 -14.778 26.709 1.00 0.00 H new ATOM 0 HD22 LEU B 185 29.641 -15.738 28.202 1.00 0.00 H new ATOM 0 HD23 LEU B 185 29.813 -16.529 26.617 1.00 0.00 H new ATOM 722 N THR B 186 26.325 -20.278 27.211 1.00 0.00 N ATOM 723 CA THR B 186 25.796 -21.564 27.776 1.00 0.00 C ATOM 724 C THR B 186 26.629 -22.733 27.256 1.00 0.00 C ATOM 725 O THR B 186 27.039 -23.606 28.026 1.00 0.00 O ATOM 726 CB THR B 186 24.326 -21.752 27.377 1.00 0.00 C ATOM 727 OG1 THR B 186 23.650 -20.507 27.485 1.00 0.00 O ATOM 728 CG2 THR B 186 23.651 -22.774 28.303 1.00 0.00 C ATOM 0 H THR B 186 25.678 -19.780 26.600 1.00 0.00 H new ATOM 0 HA THR B 186 25.863 -21.529 28.863 1.00 0.00 H new ATOM 0 HB THR B 186 24.280 -22.116 26.351 1.00 0.00 H new ATOM 0 HG1 THR B 186 22.711 -20.621 27.229 1.00 0.00 H new ATOM 0 HG21 THR B 186 22.609 -22.898 28.009 1.00 0.00 H new ATOM 0 HG22 THR B 186 24.166 -23.731 28.225 1.00 0.00 H new ATOM 0 HG23 THR B 186 23.698 -22.419 29.332 1.00 0.00 H new ATOM 736 N ILE B 187 26.881 -22.760 25.969 1.00 0.00 N ATOM 737 CA ILE B 187 27.689 -23.866 25.356 1.00 0.00 C ATOM 738 C ILE B 187 29.121 -23.784 25.888 1.00 0.00 C ATOM 739 O ILE B 187 29.741 -24.811 26.184 1.00 0.00 O ATOM 740 CB ILE B 187 27.695 -23.743 23.817 1.00 0.00 C ATOM 741 CG1 ILE B 187 26.250 -23.707 23.282 1.00 0.00 C ATOM 742 CG2 ILE B 187 28.429 -24.945 23.200 1.00 0.00 C ATOM 743 CD1 ILE B 187 26.244 -23.171 21.847 1.00 0.00 C ATOM 0 H ILE B 187 26.558 -22.054 25.308 1.00 0.00 H new ATOM 0 HA ILE B 187 27.246 -24.826 25.621 1.00 0.00 H new ATOM 0 HB ILE B 187 28.206 -22.820 23.543 1.00 0.00 H new ATOM 0 HG12 ILE B 187 25.817 -24.707 23.309 1.00 0.00 H new ATOM 0 HG13 ILE B 187 25.632 -23.075 23.919 1.00 0.00 H new ATOM 0 HG21 ILE B 187 28.430 -24.852 22.114 1.00 0.00 H new ATOM 0 HG22 ILE B 187 29.457 -24.969 23.563 1.00 0.00 H new ATOM 0 HG23 ILE B 187 27.922 -25.867 23.485 1.00 0.00 H new ATOM 0 HD11 ILE B 187 25.221 -23.147 21.472 1.00 0.00 H new ATOM 0 HD12 ILE B 187 26.659 -22.163 21.833 1.00 0.00 H new ATOM 0 HD13 ILE B 187 26.848 -23.821 21.213 1.00 0.00 H new ATOM 755 N TRP B 188 29.654 -22.587 25.997 1.00 0.00 N ATOM 756 CA TRP B 188 31.055 -22.407 26.491 1.00 0.00 C ATOM 757 C TRP B 188 31.189 -23.029 27.885 1.00 0.00 C ATOM 758 O TRP B 188 32.231 -23.609 28.208 1.00 0.00 O ATOM 759 CB TRP B 188 31.400 -20.898 26.550 1.00 0.00 C ATOM 760 CG TRP B 188 32.488 -20.552 25.573 1.00 0.00 C ATOM 761 CD1 TRP B 188 32.379 -20.629 24.227 1.00 0.00 C ATOM 762 CD2 TRP B 188 33.837 -20.078 25.849 1.00 0.00 C ATOM 763 NE1 TRP B 188 33.576 -20.230 23.659 1.00 0.00 N ATOM 764 CE2 TRP B 188 34.506 -19.881 24.619 1.00 0.00 C ATOM 765 CE3 TRP B 188 34.538 -19.802 27.037 1.00 0.00 C ATOM 766 CZ2 TRP B 188 35.826 -19.425 24.567 1.00 0.00 C ATOM 767 CZ3 TRP B 188 35.864 -19.343 26.990 1.00 0.00 C ATOM 768 CH2 TRP B 188 36.507 -19.155 25.758 1.00 0.00 C ATOM 0 H TRP B 188 29.171 -21.720 25.762 1.00 0.00 H new ATOM 0 HA TRP B 188 31.746 -22.902 25.809 1.00 0.00 H new ATOM 0 HB2 TRP B 188 30.509 -20.310 26.330 1.00 0.00 H new ATOM 0 HB3 TRP B 188 31.716 -20.633 27.559 1.00 0.00 H new ATOM 0 HD1 TRP B 188 31.502 -20.949 23.685 1.00 0.00 H new ATOM 0 HE1 TRP B 188 33.750 -20.198 22.655 1.00 0.00 H new ATOM 0 HE3 TRP B 188 34.053 -19.944 27.991 1.00 0.00 H new ATOM 0 HZ2 TRP B 188 36.316 -19.282 23.615 1.00 0.00 H new ATOM 0 HZ3 TRP B 188 36.392 -19.133 27.908 1.00 0.00 H new ATOM 0 HH2 TRP B 188 37.527 -18.802 25.729 1.00 0.00 H new ATOM 779 N LYS B 189 30.169 -22.914 28.710 1.00 0.00 N ATOM 780 CA LYS B 189 30.232 -23.491 30.091 1.00 0.00 C ATOM 781 C LYS B 189 30.406 -25.007 29.997 1.00 0.00 C ATOM 782 O LYS B 189 31.155 -25.602 30.779 1.00 0.00 O ATOM 783 CB LYS B 189 28.948 -23.153 30.859 1.00 0.00 C ATOM 784 CG LYS B 189 29.077 -23.596 32.320 1.00 0.00 C ATOM 785 CD LYS B 189 27.831 -23.164 33.096 1.00 0.00 C ATOM 786 CE LYS B 189 27.900 -23.711 34.522 1.00 0.00 C ATOM 787 NZ LYS B 189 26.651 -23.353 35.251 1.00 0.00 N ATOM 0 H LYS B 189 29.294 -22.443 28.482 1.00 0.00 H new ATOM 0 HA LYS B 189 31.080 -23.063 30.626 1.00 0.00 H new ATOM 0 HB2 LYS B 189 28.758 -22.081 30.811 1.00 0.00 H new ATOM 0 HB3 LYS B 189 28.096 -23.649 30.394 1.00 0.00 H new ATOM 0 HG2 LYS B 189 29.195 -24.678 32.374 1.00 0.00 H new ATOM 0 HG3 LYS B 189 29.968 -23.156 32.767 1.00 0.00 H new ATOM 0 HD2 LYS B 189 27.761 -22.076 33.116 1.00 0.00 H new ATOM 0 HD3 LYS B 189 26.934 -23.532 32.598 1.00 0.00 H new ATOM 0 HE2 LYS B 189 28.025 -24.794 34.502 1.00 0.00 H new ATOM 0 HE3 LYS B 189 28.767 -23.300 35.039 1.00 0.00 H new ATOM 0 HZ1 LYS B 189 26.697 -23.725 36.221 1.00 0.00 H new ATOM 0 HZ2 LYS B 189 26.551 -22.318 35.281 1.00 0.00 H new ATOM 0 HZ3 LYS B 189 25.832 -23.766 34.760 1.00 0.00 H new ATOM 801 N LYS B 190 29.738 -25.635 29.055 1.00 0.00 N ATOM 802 CA LYS B 190 29.852 -27.120 28.889 1.00 0.00 C ATOM 803 C LYS B 190 31.174 -27.466 28.197 1.00 0.00 C ATOM 804 O LYS B 190 31.712 -28.561 28.391 1.00 0.00 O ATOM 805 CB LYS B 190 28.681 -27.643 28.051 1.00 0.00 C ATOM 806 CG LYS B 190 28.578 -29.163 28.198 1.00 0.00 C ATOM 807 CD LYS B 190 27.313 -29.657 27.493 1.00 0.00 C ATOM 808 CE LYS B 190 27.096 -31.139 27.808 1.00 0.00 C ATOM 809 NZ LYS B 190 28.156 -31.954 27.147 1.00 0.00 N ATOM 0 H LYS B 190 29.114 -25.178 28.390 1.00 0.00 H new ATOM 0 HA LYS B 190 29.827 -27.589 29.873 1.00 0.00 H new ATOM 0 HB2 LYS B 190 27.752 -27.173 28.374 1.00 0.00 H new ATOM 0 HB3 LYS B 190 28.825 -27.378 27.003 1.00 0.00 H new ATOM 0 HG2 LYS B 190 29.458 -29.641 27.768 1.00 0.00 H new ATOM 0 HG3 LYS B 190 28.550 -29.436 29.253 1.00 0.00 H new ATOM 0 HD2 LYS B 190 26.451 -29.075 27.820 1.00 0.00 H new ATOM 0 HD3 LYS B 190 27.405 -29.513 26.416 1.00 0.00 H new ATOM 0 HE2 LYS B 190 27.120 -31.299 28.886 1.00 0.00 H new ATOM 0 HE3 LYS B 190 26.112 -31.454 27.461 1.00 0.00 H new ATOM 0 HZ1 LYS B 190 27.931 -32.964 27.248 1.00 0.00 H new ATOM 0 HZ2 LYS B 190 28.203 -31.709 26.137 1.00 0.00 H new ATOM 0 HZ3 LYS B 190 29.074 -31.757 27.594 1.00 0.00 H new ATOM 823 N MET B 191 31.704 -26.559 27.400 1.00 0.00 N ATOM 824 CA MET B 191 32.994 -26.815 26.688 1.00 0.00 C ATOM 825 C MET B 191 34.136 -26.125 27.444 1.00 0.00 C ATOM 826 O MET B 191 35.069 -25.582 26.835 1.00 0.00 O ATOM 827 CB MET B 191 32.903 -26.286 25.250 1.00 0.00 C ATOM 828 CG MET B 191 31.926 -27.148 24.449 1.00 0.00 C ATOM 829 SD MET B 191 31.701 -26.432 22.802 1.00 0.00 S ATOM 830 CE MET B 191 30.880 -27.855 22.044 1.00 0.00 C ATOM 0 H MET B 191 31.289 -25.646 27.215 1.00 0.00 H new ATOM 0 HA MET B 191 33.191 -27.887 26.652 1.00 0.00 H new ATOM 0 HB2 MET B 191 32.570 -25.248 25.254 1.00 0.00 H new ATOM 0 HB3 MET B 191 33.887 -26.303 24.782 1.00 0.00 H new ATOM 0 HG2 MET B 191 32.306 -28.166 24.366 1.00 0.00 H new ATOM 0 HG3 MET B 191 30.968 -27.207 24.966 1.00 0.00 H new ATOM 0 HE1 MET B 191 30.646 -27.628 21.004 1.00 0.00 H new ATOM 0 HE2 MET B 191 31.540 -28.721 22.087 1.00 0.00 H new ATOM 0 HE3 MET B 191 29.959 -28.074 22.584 1.00 0.00 H new